Summary
Name: | S-ETHYLISOTHIOUREA |
Formula: | C3 H8 N2 S |
Formal charge: | 0 |
Formula weight: | 104.174 Da |
Component type: | NON-POLYMER |
Chemical Identifiers
Program | Version | Name |
ACDLabs | 10.04 | ethyl imidothiocarbamate |
OpenEye OEToolkits | 1.5.0 | ethylsulfanylmethanimidamide |
Chemical Descriptors
Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | [N@H]=C(SCC)N |
InChI | InChI | 1.02b | InChI=1/C3H8N2S/c1-2-6-3(4)5/h2H2,1H3,(H3,4,5)/f/h4H,5H2/b4-3- |
InChIKey | InChI | 1.02b | VFIZBHJTOHUOEK-ZODMDLHRDO |
SMILES_CANONICAL | CACTVS | 3.341 | CCSC(N)=N |
SMILES | CACTVS | 3.341 | CCSC(N)=N |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCSC(=N)N |
SMILES | OpenEye OEToolkits | 1.5.0 | CCSC(=N)N |