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117420-86-7

117420-86-7 | 4-Thiazolamine, 5-[(4-methylphenyl)sulfonyl]-2-[(phenylmethyl)thio]-

CAS No: 117420-86-7 Catalog No: AG000EAM MDL No:MFCD00846945

Product Description

Catalog Number:
AG000EAM
Chemical Name:
4-Thiazolamine, 5-[(4-methylphenyl)sulfonyl]-2-[(phenylmethyl)thio]-
CAS Number:
117420-86-7
Molecular Formula:
C17H16N2O2S3
Molecular Weight:
376.5161
MDL Number:
MFCD00846945
IUPAC Name:
2-benzylsulfanyl-5-(4-methylphenyl)sulfonyl-1,3-thiazol-4-amine
InChI:
InChI=1S/C17H16N2O2S3/c1-12-7-9-14(10-8-12)24(20,21)16-15(18)19-17(23-16)22-11-13-5-3-2-4-6-13/h2-10H,11,18H2,1H3
InChI Key:
LWUDMOMOXWNGDX-UHFFFAOYSA-N
SMILES:
Cc1ccc(cc1)S(=O)(=O)c1sc(nc1N)SCc1ccccc1

Properties

Complexity:
495  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
376.037g/mol
Formal Charge:
0
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
376.507g/mol
Monoisotopic Mass:
376.037g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5  

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