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92808-77-0 | 3,4-Dihydro-2H-1,3-benzothiazine-2-thione
CAS No: 92808-77-0 Catalog No: AG01EZBB MDL No:
Product Description
Catalog Number:
AG01EZBB
Chemical Name:
3,4-Dihydro-2H-1,3-benzothiazine-2-thione
CAS Number:
92808-77-0
Molecular Formula:
C8H7NS2
Molecular Weight:
181.2779
IUPAC Name:
3,4-dihydro-1,3-benzothiazine-2-thione
InChI:
InChI=1S/C8H7NS2/c10-8-9-5-6-3-1-2-4-7(6)11-8/h1-4H,5H2,(H,9,10)
InChI Key:
UPQSXGQNKWFCQV-UHFFFAOYSA-N
SMILES:
S=C1NCc2c(S1)cccc2
Properties
Complexity:
170
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
181.002g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
181.271g/mol
Monoisotopic Mass:
181.002g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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