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100560-02-9 | 5-Thiazolamine, 4-(methylthio)-2-phenyl-
CAS No: 100560-02-9 Catalog No: AG0002CQ MDL No:
Product Description
Catalog Number:
AG0002CQ
Chemical Name:
5-Thiazolamine, 4-(methylthio)-2-phenyl-
CAS Number:
100560-02-9
Molecular Formula:
C10H10N2S2
Molecular Weight:
222.3298
IUPAC Name:
4-methylsulfanyl-2-phenyl-1,3-thiazol-5-amine
InChI:
InChI=1S/C10H10N2S2/c1-13-10-8(11)14-9(12-10)7-5-3-2-4-6-7/h2-6H,11H2,1H3
InChI Key:
YHTQUWQIBHQQTF-UHFFFAOYSA-N
SMILES:
CSc1nc(sc1N)c1ccccc1
Properties
Complexity:
183
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
222.029g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
222.324g/mol
Monoisotopic Mass:
222.029g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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