Basic information
- CAS
2150-31-4- Standard SMILES
CC(C)OC(=S)Nc1ccccc1- InChIKey
FJFQKLYYYLPHND-UHFFFAOYSA-N- Molecular formula
- C10H13NOS
- Average molar mass
- 195.28 g/mol
- Monoisotopic mass
- 195.07178521
Names & identifiers
- Preferred name
- O-propan-2-yl N-phenylcarbamothioate
- IUPAC
- O-propan-2-yl N-phenylcarbamothioate
Names & synonyms
O-isopropyl phenylthiocarbamate2150-31-4NSC4621O-propan-2-yl N-phenylcarbamothioateSCHEMBL11222830DTXSID70944109FJFQKLYYYLPHND-UHFFFAOYSA-NNSC-4621AKOS001026860o-Isopropyl-N-phenylthioimidocarbonic acidUPCMLD0ENAT0400-3254:001EU-0034053
Show more names
o-Isopropyl hydrogen phenylimidothiocarbonate #O-Propan-2-yl hydrogen phenylcarbonimidothioateO-(Propan-2-yl) hydrogen phenylcarbonimidothioateZ56756641
Database identifiers
- CAS
2150-31-4- PubChem CID
- 765773
- DTXSID
DTXSID70944109- Nikkaji
- J1.219.677F
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 3
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 164
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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