Basic information
- CAS
6913-17-3- Standard SMILES
CC(C)SC(=N)N- InChIKey
XSSNABKEYXKKMK-UHFFFAOYSA-N- Molecular formula
- C4H10N2S
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.0564695
Names & identifiers
- Preferred name
- S-Isopropyl-Isothiourea
- IUPAC
- propan-2-yl carbamimidothioate
Names & synonyms
S-ISOPROPYL-ISOTHIOUREA6913-17-3DTXSID10332182(propan-2-ylsulfanyl)methanimidamideRefChem:180671DTXCID60283276Isopropyl carbamimidothioatepropan-2-yl carbamimidothioateCHEMBL483091Tocris-08972-isopropylisothioureaS-isopropyl isothiourea
Show more names
2-Isopropyl-isothioureastarbld0040911Carbamimidothioic acid, 1-methylethyl esterSCHEMBL2320321-methylethyl imidothiocarbamateXSSNABKEYXKKMK-UHFFFAOYSA-NBDBM50271827STK661766
Database identifiers
- CAS
6913-17-3- PubChem CID
- 445319
- DTXSID
DTXSID10332182- ChEMBL
CHEMBL483091- Nikkaji
- J634.092J
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70.1
Experimental & physicochemical properties
DrugsPharmaceuticals -> Listed in ZINC15
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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