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Home > Thiazole > 1341617-42-2
1341617-42-2 | 2-(methylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CAS No: 1341617-42-2 Catalog No: AG01AV9K MDL No:MFCD16865560
Product Description
Catalog Number:
AG01AV9K
Chemical Name:
2-(methylsulfanyl)-N-(1,3-thiazol-5-ylmethyl)aniline
CAS Number:
1341617-42-2
Molecular Formula:
C11H12N2S2
Molecular Weight:
236.3564
MDL Number:
MFCD16865560
IUPAC Name:
2-methylsulfanyl-N-(1,3-thiazol-5-ylmethyl)aniline
InChI:
InChI=1S/C11H12N2S2/c1-14-11-5-3-2-4-10(11)13-7-9-6-12-8-15-9/h2-6,8,13H,7H2,1H3
InChI Key:
NBKBNIFOFZBKDR-UHFFFAOYSA-N
SMILES:
CSc1ccccc1NCc1cncs1
Properties
Complexity:
189
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
236.044g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
236.351g/mol
Monoisotopic Mass:
236.044g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
78.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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