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5036-85-1 | 2-methyl-1,3-benzothiazole-4-sulfonyl chloride
CAS No: 5036-85-1 Catalog No: AG01BCR6 MDL No:MFCD19200227
Product Description
Catalog Number:
AG01BCR6
Chemical Name:
2-methyl-1,3-benzothiazole-4-sulfonyl chloride
CAS Number:
5036-85-1
Molecular Formula:
C8H6ClNO2S2
Molecular Weight:
247.7217
MDL Number:
MFCD19200227
IUPAC Name:
2-methyl-1,3-benzothiazole-4-sulfonyl chloride
InChI:
InChI=1S/C8H6ClNO2S2/c1-5-10-8-6(13-5)3-2-4-7(8)14(9,11)12/h2-4H,1H3
InChI Key:
VLWQNWSNCAAZHW-UHFFFAOYSA-N
SMILES:
Cc1sc2c(n1)c(ccc2)S(=O)(=O)Cl
Properties
Complexity:
314
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:
1
Topological Polar Surface Area:
83.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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