Chemical Name - Iso Thiourea
Mol Weight - 76.1228
Smiles - NC(S)=N
Mol Weight - 76.1228
Smiles - NC(S)=N
| Property Value | |
| Mol Name | Iso Thiourea |
| Molweight | 76.1228 |
| Monoisotopic Mass | 76.009518 |
| Clogp | -0.7016 |
| Clogs | -0.805 |
| H Acceptors | 2 |
| H Donors | 2 |
| Total Surface Area | 58.19 |
| Relative Psa | 0.91906 |
| Polar Surface Area | 88.67 |
| Druglikeness | -3.613 |
| Mutagenic | none |
| Tumorigenic | none |
| Reproductive Effective | none |
| Irritant | none |
| Shape Index | 0.75 |
| Fragments | 1 |
| Non H Atoms | 4 |
| Non Ch Atoms | 3 |
| Electronegative Atoms | 3 |
| Sp3 Atoms | 1 |
| Basic Nitrogens | 1 |
| Smiles | NC(S)=N |
| InChIKey | InChI=1S/CH4N2S/c2-1(3)4/h(H4,2,3,4) |
| InChI | UMGDCJDMYOKAJW-UHFFFAOYSA-N |
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1 - Iso Thiourea
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