1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-
Basic information
- CAS
101001-70-1- Standard SMILES
C=CCn1cccc1C(N)=S- InChIKey
PGIUFQXXLLAUIR-UHFFFAOYSA-N- Molecular formula
- C8H10N2S
- Average molar mass
- 166.25 g/mol
- Monoisotopic mass
- 166.0564695
Names & identifiers
- Preferred name
- 1H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-
- IUPAC
- 1-prop-2-enylpyrrole-2-carbothioamide
Names & synonyms
1-Allylpyrrole-2-carbothioamide101001-70-11H-Pyrrole-2-carbothioamide, 1-(2-propenyl)-1-(2-Propenyl)-1H-pyrrole-2-carbothioamideDTXSID10143654RefChem:240490DTXCID2066145SCHEMBL105046581-(Prop-2-en-1-yl)-1H-pyrrole-2-carbothioamide
Database identifiers
- CAS
101001-70-1- PubChem CID
- 3063501
- DTXSID
DTXSID10143654
Properties
Computed structural properties
- XLogP
- 1.2
- Topological polar surface area
- 63 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 3
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 167
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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