Basic information
- CAS
57618-94-7- Standard SMILES
CSC(=N)N(C)C- InChIKey
LUHZPAHUMZZFPL-UHFFFAOYSA-N- Molecular formula
- C4H10N2S
- Average molar mass
- 118.2 g/mol
- Monoisotopic mass
- 118.0564695
Names & identifiers
- Preferred name
- Carbamimidothioic acid, N,N-dimethyl-, methyl ester
- IUPAC
- methyl N,N-dimethylcarbamimidothioate
Names & synonyms
57618-94-7N,N-Dimethyl(methylsulfanyl)methanimidamideCarbamimidothioic acid, N,N-dimethyl-, methyl estermethyl N,N-dimethylcarbamimidothioate1,1,2-trimethylisothioureaSCHEMBL10346194DTXSID70328905DB-126689EN300-142362
Database identifiers
- CAS
57618-94-7- PubChem CID
- 415151
- DTXSID
DTXSID70328905
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 52.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 70.1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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