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69635-76-3 | 1,2,3-Thiadiazole-5-carboxamide, N-(cyclohexylmethyl)-4-methyl-
CAS No: 69635-76-3 Catalog No: AG005JY6 MDL No:
Product Description
Catalog Number:
AG005JY6
Chemical Name:
1,2,3-Thiadiazole-5-carboxamide, N-(cyclohexylmethyl)-4-methyl-
CAS Number:
69635-76-3
Molecular Formula:
C11H17N3OS
Molecular Weight:
239.3372
IUPAC Name:
N-(cyclohexylmethyl)-4-methylthiadiazole-5-carboxamide
InChI:
InChI=1S/C11H17N3OS/c1-8-10(16-14-13-8)11(15)12-7-9-5-3-2-4-6-9/h9H,2-7H2,1H3,(H,12,15)
InChI Key:
CPPCRKJNHYHEQT-UHFFFAOYSA-N
SMILES:
O=C(c1snnc1C)NCC1CCCCC1
Properties
Complexity:
243
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
239.109g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
239.337g/mol
Monoisotopic Mass:
239.109g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
83.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.8
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