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117420-84-5 | 4-Thiazolamine, 2-[(1-methylethyl)thio]-5-[(4-methylphenyl)sulfonyl]-
CAS No: 117420-84-5 Catalog No: AG000EAN MDL No:
Product Description
Catalog Number:
AG000EAN
Chemical Name:
4-Thiazolamine, 2-[(1-methylethyl)thio]-5-[(4-methylphenyl)sulfonyl]-
CAS Number:
117420-84-5
Molecular Formula:
C13H16N2O2S3
Molecular Weight:
328.4733
IUPAC Name:
5-(4-methylphenyl)sulfonyl-2-propan-2-ylsulfanyl-1,3-thiazol-4-amine
InChI:
InChI=1S/C13H16N2O2S3/c1-8(2)18-13-15-11(14)12(19-13)20(16,17)10-6-4-9(3)5-7-10/h4-8H,14H2,1-3H3
InChI Key:
SARTYHIBDNMERC-UHFFFAOYSA-N
SMILES:
CC(Sc1nc(c(s1)S(=O)(=O)c1ccc(cc1)C)N)C
Properties
Complexity:
414
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
328.037g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
328.463g/mol
Monoisotopic Mass:
328.037g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
135A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.3
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