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83388-41-4 | 4H-3,1-Benzothiazine-4-thione, 7-chloro-1,2-dihydro-1-methyl-
CAS No: 83388-41-4 Catalog No: AG004S3I MDL No:
Product Description
Catalog Number:
AG004S3I
Chemical Name:
4H-3,1-Benzothiazine-4-thione, 7-chloro-1,2-dihydro-1-methyl-
CAS Number:
83388-41-4
Molecular Formula:
C9H8ClNS2
Molecular Weight:
229.7495
IUPAC Name:
7-chloro-1-methyl-2H-3,1-benzothiazine-4-thione
InChI:
InChI=1S/C9H8ClNS2/c1-11-5-13-9(12)7-3-2-6(10)4-8(7)11/h2-4H,5H2,1H3
InChI Key:
PTAQJSFSHLLBRY-UHFFFAOYSA-N
SMILES:
Clc1ccc2c(c1)N(C)CSC2=S
Properties
Complexity:
222
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
228.979g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.74g/mol
Monoisotopic Mass:
228.979g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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