Basic information
- CAS
14255-92-6- Standard SMILES
C=CCNC(=S)Nc1ccccc1Cl- InChIKey
FWQCKIRVRGDMSB-UHFFFAOYSA-N- Molecular formula
- C10H11ClN2S
- Average molar mass
- 226.73 g/mol
- Monoisotopic mass
- 226.0331472
Names & identifiers
- Preferred name
- Urea, 1-allyl-3-(o-chlorophenyl)-2-thio-
- IUPAC
- 1-(2-chlorophenyl)-3-prop-2-enylthiourea
- English name
- 1-(2-Chlorophenyl)-3-allylthiourea
- Molecular formula
- C10H11ClN2S
- Molecular weight
- 226.73
Names & synonyms
14255-92-6Urea, 1-allyl-3-(o-chlorophenyl)-2-thio-BRN 28406571-Allyl-3-(2'-chlorophenyl)-2-thioureaAI3-22168Thiourea, N-(2-chlorophenyl)-N'-2-propenyl-DTXSID501620814-12-00-01128 (Beilstein Handbook Reference)RefChem:387562DTXCID90845721-(2-chlorophenyl)-3-prop-2-enylthiourea1-(2-Chlorophenyl)-3-allylthiourea
Show more names
1-Allyl-3-(2-chlorophenyl)thioureaN-(2-Chlorophenyl)-N'-(2-propenyl)thioureaThiourea, N-(2-chlorophenyl)-N'-2-propen-1-yl-
1-(2-CHLOROPHENYL)-3-(PROP-2-EN-1-YL)THIOUREAN-(2-Chlorophenyl)-N'-(prop-2-en-1-yl)thioureaFWQCKIRVRGDMSB-UHFFFAOYSA-NSTK696151N-allyl-N'-(2-chlorophenyl)thioureaAKOS003319986NCGC00342937-01ST4136796
Database identifiers
- CAS
14255-92-6- PubChem CID
- 3038043
- DTXSID
DTXSID50162081- Nikkaji
- J49.062H
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 56.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 208
Physicochemical properties
- Boiling point
- 307.2 · 307.2±52.0 °C(Predicted)
- Density
- 1.264 · 1.264±0.06 g/cm3(Predicted)
- pka
- 11.85 · 11.85±0.70(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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