2-(Diethylamino)ethanethiol

Formula:C6H15NS CAS:100-38-9 ChemrytIQ

PropertyValue
Casrn100-38-9
MolName2-(Diethylamino)ethanethiol
MolecularFormulaC6H15NS
SmilesCCN(CC)CCS
InChIInChI=1S/C6H15NS/c1-3-7(4-2)5-6-8/h8H,3-6H2,1-2H3
InChIKYBDSNEVSFQMCTL-UHFFFAOYSA-N
CanonicalSyTyLFy9708214fd05aa902
TotalMolweight133.258
Molweight133.258
MonoisotopicMass133.092519
CLogP1.0161
CLogS-1.364
H Acceptors1
TotalSurfaceArea119.22
Relative PSA0.21943
PolarSurfaceArea42.04
Druglikeness0.17671
Mutagenicnone
Tumorigenicnone
Reproductive Effectivenone
Irritanthigh
Nasty Functions
Shape Index0.75
Molecula Flexibility0.76828
Molecular Complexity0.53648
Fragments1
Non HAtoms8
NonCHAtoms2
Electronegative Atoms2
Rotatable Bond4
Sp3Atoms8
Symmetricatoms2
Amines1
AlkylAmines1
BasicNitrogens1
StereoCon
CAS Number Mutagenic Tumorigenic Irritant Molecule Formula Mol Weight Druglikeness ChemrytIQ
10000-20-1nonelowhighC12H32N2Si2260.572-64.51 ChemrytIQ
1000018-21-2nonenonenoneC17H25N3O6S399.467-41.344 ChemrytIQ
1000025-92-2nonenonenoneC20H16N2O2316.359-6.3825 ChemrytIQ
100013-07-8nonenonenoneC18H32B.Li259.263-11.013 ChemrytIQ
100019-64-5nonenonenoneC9H10N2O7FP308.157-34.083 ChemrytIQ
100-33-4nonenonenoneC19H24N4O2340.426-7.2784 ChemrytIQ
100-63-0highhighnoneC6H8N2108.144-4.3224 ChemrytIQ
1000160-97-3nonenonenoneC24H28N2O3.C11H8O3392.4971.9926 ChemrytIQ
100-95-8nonenonenoneCl.C23H41N2O361.592-17.647 ChemrytIQ
10003-95-9nonenonenoneC10H18N2O17P4562.146-25.989 ChemrytIQ
10002-37-6nonenonenoneC9H16N2O168.239-3.8085 ChemrytIQ
100007-40-7nonenonenoneC31H42N4O7582.695-0.42167 ChemrytIQ
1000269-71-5nonenonehighC12H18N2O2222.287-10.925 ChemrytIQ
10000-51-8nonenonenoneC14H15NO3245.2770.10503 ChemrytIQ
100032-79-9nonehighnoneC6H6N3O2Br.HCl232.037-11.653 ChemrytIQ
100-20-9highnonelowC8H4O2Cl2203.024-10.706 ChemrytIQ
10003-67-5nonenonenoneC33H62O6554.849-22.973 ChemrytIQ
1000018-39-2highhighlowC13H20N2O2S268.381.9315 ChemrytIQ
1000017-94-6nonenonenoneC8H5N2O2Cl196.5932.9136 ChemrytIQ
1000339-22-9nonenonenoneC8H5NO4F2217.127-8.0943 ChemrytIQ
100-68-5nonenonenoneC7H8S124.207-1.735 ChemrytIQ
100-25-4nonenonenoneC6H4N2O4168.108-7.74 ChemrytIQ
100021-05-4nonenonenoneC21H28O2312.4510.95307 ChemrytIQ
100021-46-3nonenonenoneC9H11NO2165.191-3.1955 ChemrytIQ
1000-84-6nonenonehighC4H9NO87.1215-6.3779 ChemrytIQ
1000010-11-6nonenonenoneC28H44N2O2440.669-21.689 ChemrytIQ
1000018-23-4nonenonenoneC12H17N3O3251.2852.8124 ChemrytIQ
100020-95-9highnonelowC12H17OCl212.719-11.962 ChemrytIQ
100-46-9nonenonenoneC7H9N107.155-2.0712 ChemrytIQ
100010-02-4nonenonenoneC14H23NO221.343-6.1109 ChemrytIQ
100-75-4highhighhighC5H10N2O114.147-0.86877 ChemrytIQ
1000-41-5nonenonelowC10H18O154.252-9.05 ChemrytIQ
1000303-67-2nonenonenoneC6H8N2O124.1432.717 ChemrytIQ
100004-93-1nonehighnoneC16H11NO2249.268-1.5746 ChemrytIQ
100-53-8nonehighhighC7H8S124.207-6.3177 ChemrytIQ
100-85-6nonenonenoneHO.C10H16N150.244-2.6575 ChemrytIQ
100-82-3nonenonenoneC7H8NF125.146-3.4112 ChemrytIQ
100-14-1highhighlowC7H6NO2Cl171.583-7.5061 ChemrytIQ
1000018-10-9nonenonenoneC7H8N2OBr2295.962-5.2121 ChemrytIQ
100-89-0nonenonelowC18H36O6B2370.1-16.157 ChemrytIQ
100027-27-8nonenonenoneCH3I.C20H24N2292.4253.4994 ChemrytIQ
1000068-24-5nonenonelowC13H15NO4BCl295.529-44.638 ChemrytIQ
100019-40-7nonenonenoneC14H15NO3245.277-1.947 ChemrytIQ
100-58-3nonenonenoneBr.C6H5Mg101.411-2.3575 ChemrytIQ
10002-97-8nonenonenoneC18H30O2278.4340.24997 ChemrytIQ
10001-52-2highhighnoneC11H10N6O3S306.3056.7202 ChemrytIQ
100-59-4nonenonenoneCl.C6H5Mg101.411-2.3575 ChemrytIQ
1000339-23-0nonenonenoneC6H5N2O2Br217.022-3.3311 ChemrytIQ
1000018-24-5nonenonenoneC12H18N4O3266.3-0.33651 ChemrytIQ
1000058-38-7nonenonenoneC11H12N2O2204.228-4.6529 ChemrytIQ
1000018-71-2nonenonehighC14H19N3O4293.322-2.5213 ChemrytIQ
1000018-50-7nonenonenoneC13H16N2O4264.28-7.3568 ChemrytIQ
100-39-0highhighnoneC7H7Br171.037-7.8241 ChemrytIQ
1000-87-9nonenonenoneC7H1296.1723-2.6557 ChemrytIQ
100-01-6nonenonenoneC6H6N2O2138.126-7.2389 ChemrytIQ
100009-01-6nonenonenoneC15H13N3O3283.286-2.3895 ChemrytIQ
1000152-84-0nonenonenoneC6H2NBr2F3304.891-10.75 ChemrytIQ
100021-47-4nonenonenoneC13H17N5O6339.307-2.7249 ChemrytIQ
1000-43-7highhighhighC8H18Cl2Si213.223-31.848 ChemrytIQ
100-02-7nonenonenoneC6H5NO3139.11-7.5665 ChemrytIQ