2-({[(Cyclohexylmethyl)carbamoyl]methyl}sulfanyl)benzoic acid

Base Information

• Chemical Name: 2-({[(Cyclohexylmethyl)carbamoyl]methyl}sulfanyl)benzoic acid
• CAS No.: 793716-20-8
• Molecular Formula: C16H21NO3S
• Molecular Weight: 307.4
• DSSTox Substance ID: DTXSID101331227
• ChEMBL ID: CHEMBL1312626
• Mol file: 793716-20-8.mol

Synonyms:793716-20-8;2-({[(cyclohexylmethyl)carbamoyl]methyl}sulfanyl)benzoic acid;2-({2-[(cyclohexylmethyl)amino]-2-oxoethyl}thio)benzoic acid;2-[2-(cyclohexylmethylamino)-2-oxoethyl]sulfanylbenzoic acid;2-((2-[(Cyclohexylmethyl)amino]-2-oxoethyl)thio)benzoic acid;2-((2-((cyclohexylmethyl)amino)-2-oxoethyl)thio)benzoic acid;MLS001002599;CHEMBL1312626;DTXSID101331227;HMS1775K11;HMS2734E08;MFCD06364486;AKOS000273572;SMR000369124;EN300-16506;AB00603253-02;SR-01000060138;SR-01000060138-1;Z55950707;F3284-8012;2-({[(cyclohexylmethyl)carbamoyl]methyl}sulfanyl)benzoicacid

Chemical Property of 2-({[(Cyclohexylmethyl)carbamoyl]methyl}sulfanyl)benzoic acid

Chemical Property:

• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 6
• Exact Mass: 307.12421471
• Heavy Atom Count: 21
• Complexity: 355

Purity/Quality:

2-((2-[(CYCLOHEXYLMETHYL)AMINO]-2-OXOETHYL)THIO)BENZOIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)CNC(=O)CSC2=CC=CC=C2C(=O)O