Mls000758509
Basic information
- CAS
62382-63-2- Standard SMILES
C=CCN=C(NC#N)SC- InChIKey
QTNZEFGUDULPSY-UHFFFAOYSA-N- Molecular formula
- C6H9N3S
- Average molar mass
- 155.22 g/mol
- Monoisotopic mass
- 155.05171847
Names & identifiers
- Preferred name
- Mls000758509
- IUPAC
- methyl N-cyano-N'-prop-2-enylcarbamimidothioate
Names & synonyms
MLS00075850962382-63-2DTXSID40318454RefChem:357124DTXCID80269577SMR000528949NSC3311983-allyl-1-cyano-2-methyl-isothioureacid_332697CHEMBL1487351SCHEMBL15413417SCHEMBL15413419
Show more names
BDBM69476HMS2886E21AKOS003676677AKOS017504312NSC-331198methyl N-cyano-N''-prop-2-enylcarbamimidothioatemethyl N-cyano-N''-prop-2-enyl-carbamimidothioateMethyl N-cyano-N'-(prop-2-en-1-yl)carbamimidothioate
Database identifiers
- CAS
62382-63-2- PubChem CID
- 332697
- DTXSID
DTXSID40318454- ChEMBL
CHEMBL1487351
Properties
Computed structural properties
- XLogP
- 1.5
- Topological polar surface area
- 73.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 10
- Formal charge
- 0
- Complexity
- 177
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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