Basic information
- Standard SMILES
CCOC(=O)NC(=S)Nc1ncccc1Br- InChIKey
KIEUKZNLWJFVON-UHFFFAOYSA-N- Molecular formula
- C9H10BrN3O2S
- Average molar mass
- 304.17 g/mol
- Monoisotopic mass
- 302.96771
Names & identifiers
- Preferred name
- Ethyl aminon-(3-bromopyridin-2-YL)methanethiocarbamate
- IUPAC
- ethyl N-[(3-bromo-2-pyridinyl)carbamothioyl]carbamate
Names & synonyms
1124383-00-1ETHYL AMINON-(3-BROMOPYRIDIN-2-YL)METHANETHIOCARBAMATEMFCD28137627ethyl N-[(3-bromopyridin-2-yl)carbamothioyl]carbamateethyl {[(3-bromopyridin-2-yl)amino]carbonothioyl}carbamateSCHEMBL1691036SCHEMBL30587541KIEUKZNLWJFVON-UHFFFAOYSA-NAKOS037646743AS-70606DA-33649SY126100
Show more names
CS-00373721-(3-Bromo-2-pyridyl)-3-carboethoxythioureaW133401-(3-bromopyridine-2-yl)-3-carboethoxythioureaethyl[(3-bromopyridin-2-yl)carbamothioyl]carbamateN-(3-Bromo-2-pyridinyl)-N'-carboethoxy-thioureaethyl [(3-bromopyridin-2-yl)carbamothioyl]carbamateethyl N-[(3-bromo-2-pyridyl)carbamothioyl]carbamate
Database identifiers
- PubChem CID
- 59199107
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 95.3 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 265
Related reactions
15 records
Linked notes
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