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67130-27-2 | 4H-3,1-Benzothiazine-4-thione, 2-ethyl-
CAS No: 67130-27-2 Catalog No: AG00642O MDL No:
Product Description
Catalog Number:
AG00642O
Chemical Name:
4H-3,1-Benzothiazine-4-thione, 2-ethyl-
CAS Number:
67130-27-2
Molecular Formula:
C10H9NS2
Molecular Weight:
207.3152
IUPAC Name:
2-ethyl-3,1-benzothiazine-4-thione
InChI:
InChI=1S/C10H9NS2/c1-2-9-11-8-6-4-3-5-7(8)10(12)13-9/h3-6H,2H2,1H3
InChI Key:
MFEWANFLNVTJGO-UHFFFAOYSA-N
SMILES:
CCc1nc2ccccc2c(=S)s1
Properties
Complexity:
247
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
207.018g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
207.309g/mol
Monoisotopic Mass:
207.018g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
69.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.9
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