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83388-43-6 | 4H-3,1-Benzothiazine-4-thione, 1,2-dihydro-1-(1-methylethyl)-
CAS No: 83388-43-6 Catalog No: AG004VQ0 MDL No:
Product Description
Catalog Number:
AG004VQ0
Chemical Name:
4H-3,1-Benzothiazine-4-thione, 1,2-dihydro-1-(1-methylethyl)-
CAS Number:
83388-43-6
Molecular Formula:
C11H13NS2
Molecular Weight:
223.3576
IUPAC Name:
1-propan-2-yl-2H-3,1-benzothiazine-4-thione
InChI:
InChI=1S/C11H13NS2/c1-8(2)12-7-14-11(13)9-5-3-4-6-10(9)12/h3-6,8H,7H2,1-2H3
InChI Key:
RGYSSTZSXUGTCJ-UHFFFAOYSA-N
SMILES:
CC(N1CSC(=S)c2c1cccc2)C
Properties
Complexity:
227
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
223.049g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
223.352g/mol
Monoisotopic Mass:
223.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
60.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.7
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