5-bromo-2-({[(3-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid
Structure Info
- Chemspace ID
- CSSB00102616110 (In-Stock Building Blocks)
- MFCD
- MFCD03572136
- IUPAC Name
- 5-bromo-2-({[(3-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid
- Mol formula
- C16H13BrN2O4S
- Mol weight
- 409 Da
- Catalog Number(s)
- 7404664, AA00DQHF, AG40751, CSC102616110, OSSK_400332, STK107474, TX00DRPV
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 4.53
- 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 5-bromo-2-({[(3-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid (C16H13BrN2O4S) - 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 "C16H13BrN2O4S")
- Zoom the structure
- CSSB00102616110
Items Overall 2 items from 1 supplier
| Supplier | Lead time | Ships from | Purity | Pack | Price, $ | Qty |
|---|---|---|---|---|---|---|
| AA Blocks CN | 12 days | China To: | 90 | 1 mg | 107.80 | |
| AA Blocks CN | 12 days | China To: | 90 | 5 mg | 150.70 | |
Description: 5-BROMO-2-[[[(3-METHOXYBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID; CAS: 535953-76-5 | ||||||
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Substructure Analogs
![Chemical structure of 5-bromo-2-({[(3-ethoxyphenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102616107](/st/structure/200/021bcaafdbae2f952f30bedcff210a73/CCOC1%253DCC%253DCC%2528%253DC1%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DC%2528Br%2529C%253DC1C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of 4-chloro-3-({[(3-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102610455](/st/structure/200/0a8b3c79596eece7d858560a7e088dd4/COC1%253DCC%253DCC%2528%253DC1%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%2528%253DCC%253DC1Cl%2529C%2528O%2529%253DO.png)
![Chemical structure of 3-({[(5-bromo-2-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid - 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)
![Chemical structure of 5-bromo-2-({[(2-methylphenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102616091](/st/structure/200/7e8b2db584cb49f80b58767b5fad4ebe/CC1%253DCC%253DCC%253DC1C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DC%2528Br%2529C%253DC1C%2528O%2529%253DO.png)
![Chemical structure of 2-({[(4-methoxyphenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102596168](/st/structure/200/25406729b45723a8383955db74175d84/COC1%253DCC%253DC%2528C%253DC1%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DCC%253DC1C%2528O%2529%253DO.png)
![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-({[(4-methoxyphenyl)formamido]methanethioyl}amino)-2-methylbenzoic acid - CSSB00102605709](/st/structure/200/4ff2f72ce2cdd86390e6352b7c5e18db/COC1%253DCC%253DC%2528C%253DC1%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DCC%2528C%2528O%2529%253DO%2529%253DC1C.png)
