Home Halogens 3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline

3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline

CAS No.:
1019391-52-6
Catalog Number:
AG01A9D1
Molecular Formula:
C10H9ClN2S2
Molecular Weight:
256.7749
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Product Description
Catalog Number:
AG01A9D1
Chemical Name:
3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline
CAS Number:
1019391-52-6
Molecular Formula:
C10H9ClN2S2
Molecular Weight:
256.7749
MDL Number:
MFCD11132438
IUPAC Name:
3-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]aniline
InChI:
InChI=1S/C10H9ClN2S2/c1-6-5-14-10(13-6)15-9-3-2-7(12)4-8(9)11/h2-5H,12H2,1H3
InChI Key:
BRIOHPWVNABADU-UHFFFAOYSA-N
SMILES:
Nc1ccc(c(c1)Cl)Sc1scc(n1)C
Properties
Complexity:
218  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
255.99g/mol
Formal Charge:
0
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
256.766g/mol
Monoisotopic Mass:
255.99g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
92.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7  
Properties