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80357-75-1 | Acetyl chloride, (2-benzothiazolylthio)-
CAS No: 80357-75-1 Catalog No: AG005BHC MDL No:
Product Description
Catalog Number:
AG005BHC
Chemical Name:
Acetyl chloride, (2-benzothiazolylthio)-
CAS Number:
80357-75-1
Molecular Formula:
C9H6ClNOS2
Molecular Weight:
243.7330
IUPAC Name:
2-(1,3-benzothiazol-2-ylsulfanyl)acetyl chloride
InChI:
InChI=1S/C9H6ClNOS2/c10-8(12)5-13-9-11-6-3-1-2-4-7(6)14-9/h1-4H,5H2
InChI Key:
LVXODBPVMFDPHW-UHFFFAOYSA-N
SMILES:
ClC(=O)CSc1nc2c(s1)cccc2
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.958g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.723g/mol
Monoisotopic Mass:
242.958g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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