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Home > Thiazole > 1375471-41-2
1375471-41-2 | 1,3-benzothiazol-2-ylmethanesulfonyl chloride
CAS No: 1375471-41-2 Catalog No: AG019TTD MDL No:MFCD21602768
Product Description
Catalog Number:
AG019TTD
Chemical Name:
1,3-benzothiazol-2-ylmethanesulfonyl chloride
CAS Number:
1375471-41-2
Molecular Formula:
C8H6ClNO2S2
Molecular Weight:
247.7217
MDL Number:
MFCD21602768
IUPAC Name:
1,3-benzothiazol-2-ylmethanesulfonyl chloride
InChI:
InChI=1S/C8H6ClNO2S2/c9-14(11,12)5-8-10-6-3-1-2-4-7(6)13-8/h1-4H,5H2
InChI Key:
KHPIMOLUMANQGI-UHFFFAOYSA-N
SMILES:
ClS(=O)(=O)Cc1nc2c(s1)cccc2
Properties
Complexity:
301
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
246.953g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.711g/mol
Monoisotopic Mass:
246.953g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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