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83388-42-5 | 4H-3,1-Benzothiazine-4-thione, 7-chloro-1-ethyl-1,2-dihydro-
CAS No: 83388-42-5 Catalog No: AG004VQ1 MDL No:
Product Description
Catalog Number:
AG004VQ1
Chemical Name:
4H-3,1-Benzothiazine-4-thione, 7-chloro-1-ethyl-1,2-dihydro-
CAS Number:
83388-42-5
Molecular Formula:
C10H10ClNS2
Molecular Weight:
243.7761
IUPAC Name:
7-chloro-1-ethyl-2H-3,1-benzothiazine-4-thione
InChI:
InChI=1S/C10H10ClNS2/c1-2-12-6-14-10(13)8-4-3-7(11)5-9(8)12/h3-5H,2,6H2,1H3
InChI Key:
RLMNQMOWNCBEAO-UHFFFAOYSA-N
SMILES:
CCN1CSC(=S)c2c1cc(Cl)cc2
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.994g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
243.767g/mol
Monoisotopic Mass:
242.994g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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