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59985-37-4 | N-(3-Pyridyl)thiocarbamic acid butyl ester
CAS No: 59985-37-4 Catalog No: AG00F2I8 MDL No:
Product Description
Catalog Number:
AG00F2I8
Chemical Name:
N-(3-Pyridyl)thiocarbamic acid butyl ester
CAS Number:
59985-37-4
IUPAC Name:
O-butyl N-pyridin-3-ylcarbamothioate
InChI:
InChI=1S/C10H14N2OS/c1-2-3-7-13-10(14)12-9-5-4-6-11-8-9/h4-6,8H,2-3,7H2,1H3,(H,12,14)
InChI Key:
PFAUPGUSXKOVGX-UHFFFAOYSA-N
Properties
Complexity:
176
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:
5
Topological Polar Surface Area:
66.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3
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