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95203-31-9 | N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CAS No: 95203-31-9 Catalog No: AG01B87L MDL No:MFCD24592036
Product Description
Catalog Number:
AG01B87L
Chemical Name:
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
CAS Number:
95203-31-9
Molecular Formula:
C10H14N2OS
Molecular Weight:
210.2960
MDL Number:
MFCD24592036
IUPAC Name:
N,2-dimethyl-4,5,6,7-tetrahydro-1,3-benzothiazole-4-carboxamide
InChI:
InChI=1S/C10H14N2OS/c1-6-12-9-7(10(13)11-2)4-3-5-8(9)14-6/h7H,3-5H2,1-2H3,(H,11,13)
InChI Key:
VHNBWPBVIQVVTE-UHFFFAOYSA-N
SMILES:
CNC(=O)C1CCCc2c1nc(s2)C
Properties
Complexity:
234
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
210.083g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
210.295g/mol
Monoisotopic Mass:
210.083g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
70.2A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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