Carbamimidothioic acid, methyl ester, monohydrobromide
Basic information
- CAS
1068-58-2- Standard SMILES
Br.CSC(=N)N- InChIKey
JWNGATKGDWXEDT-UHFFFAOYSA-N- Molecular formula
- C2H7BrN2S
- Average molar mass
- 171.06 g/mol
- Monoisotopic mass
- 169.95133
Names & identifiers
- Preferred name
- Carbamimidothioic acid, methyl ester, monohydrobromide
- IUPAC
- methyl carbamimidothioate;hydrobromide
Names & synonyms
1068-58-2Carbamimidothioic acid, methyl ester, monohydrobromidePsuedourea, 2-methyl-2-thio-, monohydrobromideDTXSID90147776RefChem:1080995DTXCID2070267S-Methylisothiourea hydrobromideS-Methylisothiuronium bromideMethylisothiouronium bromideUSAF PD-312-Methyl-2-thiopseudourea, monohydrobromideSCHEMBL10831404
Show more names
JWNGATKGDWXEDT-UHFFFAOYSA-Nmethylthiomethanimidamide hydrobromidemethyl carbamimidothioate;hydrobromideAKOS028109208
Database identifiers
- CAS
1068-58-2- PubChem CID
- 70606
Properties
Computed structural properties
- Topological polar surface area
- 75.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 42.9
Related reactions
2 records
Compound notes
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