3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid
Structure Info
- Chemspace ID
- CSSB00102605717 (In-Stock Building Blocks)
- MFCD
- MFCD03246192
- IUPAC Name
- 3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid
- Mol formula
- C16H13BrN2O4S
- Mol weight
- 409 Da
- Catalog Number(s)
- 6965116, AA00DQLS, AG40908, CSC102605717, OSSK_402849, STK110070, TX00DRU8
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- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.88
- Heavy atoms count
- 24
- Rotatable bond count
- 4
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.062
- Polar surface area (Å)
- 88
- Hydrogen bond acceptors count
- 4
- Hydrogen bond donors count
- 3
![Chemical structure of 3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid (C16H13BrN2O4S) - CSSB00102605717](/st/structure/200/ffb05641c3544b086be5145273114c3f/COC1%253DCC%253DC%2528Br%2529C%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DCC%2528%253DC1%2529C%2528O%2529%253DO.png "C16H13BrN2O4S")
- Zoom the structure
- CSSB00102605717
Items Overall 1 item from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| AA Blocks CN | 12 days | China To: | 90 | 5 mg | 150.70 | |
Description: 3-[[[(5-BROMO-2-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID; CAS: 433690-89-2 | ||||||
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Substructure Analogs
![Chemical structure of 3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)-2-methylbenzoic acid - CSSB00102605715](/st/structure/200/bf2c595b8b7b94458cbc6404487a6589/COC1%253DCC%253DC%2528Br%2529C%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DCC%2528C%2528O%2529%253DO%2529%253DC1C.png)
![Chemical structure of 3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)-4-chlorobenzoic acid - CSSB00102605716](/st/structure/200/cd3b45926bf4bf622455f69850177868/COC1%253DCC%253DC%2528Br%2529C%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%2528%253DCC%253DC1Cl%2529C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of 4-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102612989](/st/structure/200/54c6b78c5dbf7602a288fc92a45d8676/COC1%253DCC%253DC%2528Br%2529C%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DC%2528C%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of 2-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)-5-chlorobenzoic acid - CSSB00102596178](/st/structure/200/bf5feb27e7c76b59130584e0646dbf83/COC1%253DCC%253DC%2528Br%2529C%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DC%2528Cl%2529C%253DC1C%2528O%2529%253DO.png)
![Chemical structure of 3-({[(3-methoxynaphthalen-2-yl)formamido]methanethioyl}amino)benzoic acid - CSSB00102605757](/st/structure/200/21f5dee4d00f7afd9cb16dbfbee96f73/COC1%253DCC2%253DCC%253DCC%253DC2C%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DCC%2528%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of 3-(5-bromo-2-methoxybenzoyl)-1-{4-[(acetamidomethanethioyl)amino]phenyl}thiourea - CSSB00121714789](/st/structure/200/00ddd774034a00a98e87836f1ea6725a/COC1%253DCC%253DC%2528Br%2529C%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DC%2528NC%2528%253DS%2529NC%2528C%2529%253DO%2529C%253DC1.png)
![Chemical structure of 5-bromo-2-({[(3-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102616110](/st/structure/200/d6d0cb3e119b58f3b1403898b79c054e/COC1%253DCC%253DCC%2528%253DC1%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DC%2528Br%2529C%253DC1C%2528O%2529%253DO.png)
