1-Butyl-3-(2-sulfanylphenyl)thiourea
Basic information
- CAS
65655-76-7- Standard SMILES
CCCCNC(=S)Nc1ccccc1S- InChIKey
ASRJEQWUNIULFI-UHFFFAOYSA-N- Molecular formula
- C11H16N2S2
- Average molar mass
- 240.4 g/mol
- Monoisotopic mass
- 240.07549087
Names & identifiers
- Preferred name
- 1-Butyl-3-(2-sulfanylphenyl)thiourea
- IUPAC
- 1-butyl-3-(2-sulfanylphenyl)thiourea
Names & synonyms
65655-76-71-butyl-3-(2-sulfanylphenyl)thioureaNSC289606DTXSID00398030N-Butyl-N'-(2-sulfanylphenyl)thioureaNSC-289606
Database identifiers
- CAS
65655-76-7- PubChem CID
- 3930101
- DTXSID
DTXSID00398030
Properties
Computed structural properties
- XLogP
- 2.9
- Topological polar surface area
- 57.2 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 197
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Compound notes
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