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16081-99-5 | 2H-3,1-Benzothiazine-2,4(1H)-dithione, 1-methyl-
CAS No: 16081-99-5 Catalog No: AG007VLW MDL No:MFCD25959674
Product Description
Catalog Number:
AG007VLW
Chemical Name:
2H-3,1-Benzothiazine-2,4(1H)-dithione, 1-methyl-
CAS Number:
16081-99-5
Molecular Formula:
C9H7NS3
Molecular Weight:
225.3536
MDL Number:
MFCD25959674
IUPAC Name:
1-methyl-3,1-benzothiazine-2,4-dithione
InChI:
InChI=1S/C9H7NS3/c1-10-7-5-3-2-4-6(7)8(11)13-9(10)12/h2-5H,1H3
InChI Key:
OVVPUGDELKYOOP-UHFFFAOYSA-N
SMILES:
S=c1sc(=S)n(c2c1cccc2)C
Properties
Complexity:
251
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
224.974g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
225.342g/mol
Monoisotopic Mass:
224.974g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
92.7A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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