4-chloro-3-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)benzoic acid
Structure Info
- Chemspace ID
- CSSB00102610465 (In-Stock Building Blocks)
- MFCD
- MFCD03569784
- IUPAC Name
- 4-chloro-3-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)benzoic acid
- Mol formula
- C16H12ClN3O6S
- Mol weight
- 410 Da
- Catalog Number(s)
- 7411924, AA00DQ8B, AG40423, CSC102610465, IB03-1611, LN00614937, OSSL_832421, STL355668, STOCK3S-72169, TX00DRGR
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 3.65
- Heavy atoms count
- 27
- Rotatable bond count
- 5
- Number of rings
- 2
- Carbon bond saturation, Fsp3
- 0.062
- Polar surface area (Å)
- 131
- Hydrogen bond acceptors count
- 6
- Hydrogen bond donors count
- 3
![Chemical structure of 4-chloro-3-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)benzoic acid (C16H12ClN3O6S) - CSSB00102610465](/st/structure/200/e0f29575f6fa25d05a5c49bb49d74f83/COC1%253DCC%253DC%2528C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%2528%253DCC%253DC1Cl%2529C%2528O%2529%253DO.png "C16H12ClN3O6S")
- Zoom the structure
- CSSB00102610465
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: 4-CHLORO-3-[[[(4-METHOXY-3-NITROBENZOYL)AMINO]THIOXOMETHYL]AMINO]-BENZOIC ACID; CAS: 532417-18-8 | ||||||
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Substructure Analogs
![Chemical structure of 4-chloro-3-({[(4-ethoxy-3-nitrophenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102610462](/st/structure/200/af995df754761d8c3f010b942ba88ba6/CCOC1%253DCC%253DC%2528C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%2528%253DCC%253DC1Cl%2529C%2528O%2529%253DO.png)
Similarity Analogs
![Chemical structure of 2-chloro-5-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102591772](/st/structure/200/2e13732c0b574ae3a38c60b9e8cb263f/COC1%253DCC%253DC%2528C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DC%2528Cl%2529C%2528%253DC1%2529C%2528O%2529%253DO.png)
![Chemical structure of 3,5-dichloro-2-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)benzoic acid - CSSB00102600092](/st/structure/200/775ddcaffdf41fe711b0d272e4f8a0bb/COC1%253DCC%253DC%2528C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DC%2528Cl%2529C%253DC%2528Cl%2529C%253DC1C%2528O%2529%253DO.png)
![Chemical structure of 2-chloro-N-[3-({[(4-methoxy-3-nitrophenyl)formamido]methanethioyl}amino)phenyl]benzamide - CSSB00121706308](/st/structure/200/075488567389ceea64b70c6d0d148855/COC1%253DCC%253DC%2528C%253DC1%255BN%252B%255D%2528%255BO-%255D%2529%253DO%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%253DCC%2528NC%2528%253DO%2529C2%253DCC%253DCC%253DC2Cl%2529%253DC1.png)
![Chemical structure of 3-({[(3-bromo-4-methoxyphenyl)formamido]methanethioyl}amino)-4-chlorobenzoic acid - CSSB00102605673](/st/structure/200/de87b93ddf18d89544b8eb31f61372a4/COC1%253DCC%253DC%2528C%253DC1Br%2529C%2528%253DO%2529NC%2528%253DS%2529NC1%253DCC%2528%253DCC%253DC1Cl%2529C%2528O%2529%253DO.png)
