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21036-85-1 | 2-Thiazolamine, 4-(3-methylbenzo[b]thien-2-yl)-
CAS No: 21036-85-1 Catalog No: AG002KQY MDL No:MFCD01648613
Product Description
Catalog Number:
AG002KQY
Chemical Name:
2-Thiazolamine, 4-(3-methylbenzo[b]thien-2-yl)-
CAS Number:
21036-85-1
Molecular Formula:
C12H10N2S2
Molecular Weight:
246.3512
MDL Number:
MFCD01648613
IUPAC Name:
4-(3-methyl-1-benzothiophen-2-yl)-1,3-thiazol-2-amine
InChI:
InChI=1S/C12H10N2S2/c1-7-8-4-2-3-5-10(8)16-11(7)9-6-15-12(13)14-9/h2-6H,1H3,(H2,13,14)
InChI Key:
MSIRAGHWWKEEFE-UHFFFAOYSA-N
SMILES:
Nc1scc(n1)c1sc2c(c1C)cccc2
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.029g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
246.346g/mol
Monoisotopic Mass:
246.029g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
95.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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