Basic information
- Standard SMILES
COC(=O)N=C(N)SC- InChIKey
MMBDAJMDNVQFDV-UHFFFAOYSA-N- Molecular formula
- C4H8N2O2S
- Average molar mass
- 148.19 g/mol
Names & identifiers
- Preferred name
- 1-methoxycarbonyl-S-methylisothiourea
- IUPAC
- methyl N-[amino(methylsulfanyl)methylidene]carbamate
Names & synonyms
1-methoxycarbonyl-S-methylisothioureaN-(Methoxycarbonyl)-S-methylisothioureaimino(methylthio)methylcarbamic acid methylestermethyl N-(1-amino-1-methylthiomethylene)carbamatemethyl N-(1-amino-1-methylthiomethylene)-carbamatemethyl N-[1-amino-1-(methylthio)methylene]carbamateMethyl N-[1-(amino)-1-(methylthio)methylene]carbamate
Database identifiers
- PubChem CID
- 293578
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 90 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 135
Related reactions
14 records
Compound notes
Loading…