Carbamimidothioic acid, 2-propenyl-, ethyl ester
Basic information
- CAS
100139-39-7- Standard SMILES
C=CCN=C(N)SCC- InChIKey
WYXPSPHVEQTFFC-UHFFFAOYSA-N- Molecular formula
- C6H12N2S
- Average molar mass
- 144.24 g/mol
- Monoisotopic mass
- 144.07211956
Names & identifiers
- Preferred name
- Carbamimidothioic acid, 2-propenyl-, ethyl ester
- IUPAC
- ethyl N'-prop-2-enylcarbamimidothioate
Names & synonyms
100139-39-7Carbamimidothioic acid, 2-propenyl-, ethyl esterEthyl allylcarbamimidothioateethyl N'-prop-2-enylcarbamimidothioateDTXSID90388980AKOS006220735Ethyl N'-(prop-2-en-1-yl)carbamimidothioate
Database identifiers
- CAS
100139-39-7- PubChem CID
- 3086777
- DTXSID
DTXSID90388980
Properties
Computed structural properties
- XLogP
- 1.4
- Topological polar surface area
- 63.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 4
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 110
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Compound notes
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