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89139-51-5 | Butanoic acid, 4-[bis(2-mercaptobenzoyl)amino]-
CAS No: 89139-51-5 Catalog No: AG003YY7 MDL No:
Product Description
Catalog Number:
AG003YY7
Chemical Name:
Butanoic acid, 4-[bis(2-mercaptobenzoyl)amino]-
CAS Number:
89139-51-5
Molecular Formula:
C18H17NO4S2
Molecular Weight:
375.4619
IUPAC Name:
4-[bis(2-sulfanylbenzoyl)amino]butanoic acid
InChI:
InChI=1S/C18H17NO4S2/c20-16(21)10-5-11-19(17(22)12-6-1-3-8-14(12)24)18(23)13-7-2-4-9-15(13)25/h1-4,6-9,24-25H,5,10-11H2,(H,20,21)
InChI Key:
DFXQJCOGEBBKIB-UHFFFAOYSA-N
SMILES:
OC(=O)CCCN(C(=O)c1ccccc1S)C(=O)c1ccccc1S
Properties
Complexity:
466
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
375.06g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
375.457g/mol
Monoisotopic Mass:
375.06g/mol
Rotatable Bond Count:
6
Topological Polar Surface Area:
76.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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