Basic information
- CAS
17494-72-3- Standard SMILES
NC(=O)SCCCCl- InChIKey
YUZPIPRFWMDPBQ-UHFFFAOYSA-N- Molecular formula
- C4H8ClNOS
- Average molar mass
- 153.63 g/mol
- Monoisotopic mass
- 153.0015127
Names & identifiers
- Preferred name
- Carbamic acid, thio-, S-(3-chloropropyl)ester
- IUPAC
- S-(3-chloropropyl) carbamothioate
- English name
- Carbamothioic acid S-(3-chloropropyl) ester
- Molecular weight
- 0
Names & synonyms
S-(3-chloropropyl) carbamothioate3-Chloropropyl thiocarbamate17494-72-3Carbamothioic acid, S-(3-chloropropyl) esterCARBAMIC ACID, THIO-, S-(3-CHLOROPROPYL)ESTERKF4ZBM8WHKNSC-220081DTXSID50169914RefChem:1080980DTXCID00924053-Chloropropyl thiolcarbamateNSC 220081
Show more names
BRN 1903594Carbamothioic acid S-(3-chloropropyl) esterWLN: ZVS3GNSC220081AKOS006383258Carbamic acid, S-(3-chloropropyl)ester
Database identifiers
- CAS
17494-72-3- PubChem CID
- 28571
- DTXSID
DTXSID50169914- UNII
- KF4ZBM8WHK
- Nikkaji
- J42.816G
Properties
Computed structural properties
- XLogP
- 1
- Topological polar surface area
- 68.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 8
- Formal charge
- 0
- Complexity
- 78.4
Physicochemical properties
- FDA UNII
- 4 ZBM8WHK · KF4ZBM8WHK
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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