721406-57-1
2-(([(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)CARBAMOYL]METHYL)SULFANYL)BENZOIC ACID
Name2-(([(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)CARBAMOYL]METHYL)SULFANYL)BENZOIC ACID
1Identification
【Name】
2-(([(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)CARBAMOYL]METHYL)SULFANYL)BENZOIC ACID
【CAS】
【MDL】
MFCD03949350
【English Synonyms】
【Formula】
C19 H19 N O3 S
【MolWeight】
341.429
【Inchi】
InChI=1S/C19H19NO3S/c21-18(12-24-17-11-4-3-9-15(17)19(22)23)20-16-10-5-7-13-6-1-2-8-14(13)16/h1-4,6,8-9,11,16H,5,7,10,12H2,(H,20,21)(H,22,23)
【InChIKey】
InChIKey=LVJMOIGUACVSLW-UHFFFAOYSA-N
【SMILES】
c1ccc2c(c1)CCCC2NC(=O)CSc3ccccc3C(=O)O
【MOL File】
2-(([(1,2,3,4-TETRAH….mol
2Chemical and Physical Properties
【Computed Properties】
H bond donor:2
H bond acceptor:4
XLogP3:3.0
Bulk/Fine:F
3Material Safety Data Sheet(MSDS)
4CML File
2-(([(1,2,3,4-TETRAHYDRONAPHTHALEN-1-YL)CARBAMOYL]METHYL)SULFANYL)BENZOIC ACID.cml