1-(2-Cyanoethyl)-1-methylthiourea
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Basic information
- CAS
686-57-7- Standard SMILES
CN(CCC#N)C(N)=S- InChIKey
TWLQVVRTHGVOHF-UHFFFAOYSA-N- Molecular formula
- C5H9N3S
- Average molar mass
- 143.21 g/mol
- Monoisotopic mass
- 143.05171847
Names & identifiers
- Preferred name
- 1-(2-Cyanoethyl)-1-methylthiourea
- IUPAC
- 1-(2-cyanoethyl)-1-methylthiourea
- English name
- Maytansinol-3-bromoacetate, (-)
- Molecular formula
- C5H9N3S
- Molecular weight
- 143.21
Names & synonyms
1-(2-cyanoethyl)-1-methylthiourea686-57-7N-(2-Cyanoethyl)-N-methylthioureaNSC-55977NSC559775HDD9X9XPDDTXSID50401604AKOS000208027Thiourea, N-(2-cyanoethyl)-N-methyl-Urea, 1-(2-cyanoethyl)-1-methyl-2-thio-Maytansinol-3-bromoacetate, (-)
Database identifiers
- CAS
686-57-7- PubChem CID
- 4288786
- DTXSID
DTXSID50401604- UNII
- 5HDD9X9XPD
Properties
Computed structural propertiesFilling in
- XLogP
- -0.6
- Topological polar surface area
- 85.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 146
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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