Basic information
- CAS
5617-47-0- Standard SMILES
Cc1ccc(NC(=S)NC(=O)c2ccco2)c(Br)c1- InChIKey
QRHDEGHKIMEEKV-UHFFFAOYSA-N- Molecular formula
- C13H11BrN2O2S
- Average molar mass
- 339.21 g/mol
- Monoisotopic mass
- 337.97246
Names & identifiers
- Preferred name
- n-[(2-Bromo-4-methylphenyl)carbamothioyl]-2-furamide
- IUPAC
- N-[(2-bromo-4-methylphenyl)carbamothioyl]furan-2-carboxamide
- English name
- Heptanedioic acid, 4-(2-carboxyethyl)-
- Molecular formula
- C10H16O6
- Molecular weight
- 232.23
Names & synonyms
N-[(2-bromo-4-methylphenyl)carbamothioyl]furan-2-carboxamiden-[(2-bromo-4-methylphenyl)carbamothioyl]-2-furamideCBMicro_006299DTXSID90352363SMSF0006492AKOS002270740CB08528BIM-0006094.P001Heptanedioic acid, 4-(2-carboxyethyl)-
Database identifiers
- CAS
5617-47-0- PubChem CID
- 724102
- DTXSID
DTXSID90352363
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 86.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 354
Chemistry & industry
Suppliers10 total
上海策嵘生物科技有限公司[email protected]
淄博茵泰医药科技有限公司18766946537 · [email protected]
武汉布林科技有限公司3456065315 13260619011 · [email protected]
郑州研德生物科技有限公司0371-63682289 15538176268 · [email protected]
金瓯生物医药（南京）有限公司13000000000 · [email protected]
Henan Alfa Chemical Co., Ltd+8618339805032 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
河南阿尔法化工有限公司0371-55055611 18137792234 · [email protected]
郑州安慕斯化工产品有限公司15981811963 18737195735 · [email protected]
Henan Lavoisier Chemical Products Co.Ltd+86-86-37163682289 +8615981966935 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…