N-(Prop-2-en-1-yl)-2-sulfanylidenetetrahydropyrimidine-1(2H)-carbothioamide
Basic information
- CAS
114141-76-3- Standard SMILES
C=CCNC(=S)N1CCCNC1=S- InChIKey
YCVKUNJWGJAISU-UHFFFAOYSA-N- Molecular formula
- C8H13N3S2
- Average molar mass
- 215.3 g/mol
- Monoisotopic mass
- 215.05508977
Names & identifiers
- Preferred name
- N-(Prop-2-en-1-yl)-2-sulfanylidenetetrahydropyrimidine-1(2H)-carbothioamide
- IUPAC
- N-prop-2-enyl-2-sulfanylidene-1,3-diazinane-1-carbothioamide
Names & synonyms
114141-76-3DTXSID70618919N-(Prop-2-en-1-yl)-2-sulfanylidenetetrahydropyrimidine-1(2H)-carbothioamideRefChem:362869DTXCID10569673N-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-DIAZINANE-1-CARBOTHIOAMIDE
Database identifiers
- CAS
114141-76-3- PubChem CID
- 21859664
- DTXSID
DTXSID70618919- Nikkaji
- J2.138.170E
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 91.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 227
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Related reactions
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Compound notes
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