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93301-19-0 | 2,2-DiMethyl-3,4-dihydro-2H-1,4-benzothiazine, 97%
CAS No: 93301-19-0 Catalog No: AG00H1T9 MDL No:MFCD16471298
Product Description
Catalog Number:
AG00H1T9
Chemical Name:
2,2-DiMethyl-3,4-dihydro-2H-1,4-benzothiazine, 97%
CAS Number:
93301-19-0
Molecular Formula:
C10H13NS
Molecular Weight:
179.2819
MDL Number:
MFCD16471298
IUPAC Name:
2,2-dimethyl-3,4-dihydro-1,4-benzothiazine
InChI:
InChI=1S/C10H13NS/c1-10(2)7-11-8-5-3-4-6-9(8)12-10/h3-6,11H,7H2,1-2H3
InChI Key:
QYSQMZALWJWGLW-UHFFFAOYSA-N
SMILES:
CC1(C)CNc2c(S1)cccc2
Properties
Complexity:
167
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
179.077g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
179.281g/mol
Monoisotopic Mass:
179.077g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
37.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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