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77637-80-0

77637-80-0 | Carbamic acid, (2-pyridinylthioxomethyl)-, methyl ester (9CI)

CAS No: 77637-80-0 Catalog No: AG00GMMU MDL No:

Product Description

Catalog Number:
AG00GMMU
Chemical Name:
Carbamic acid, (2-pyridinylthioxomethyl)-, methyl ester (9CI)
CAS Number:
77637-80-0
IUPAC Name:
methyl N-(pyridine-2-carbothioyl)carbamate
InChI:
InChI=1S/C8H8N2O2S/c1-12-8(11)10-7(13)6-4-2-3-5-9-6/h2-5H,1H3,(H,10,11,13)
InChI Key:
BDJPFSSEHDTYOW-UHFFFAOYSA-N

Properties

Complexity:
208  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
196.031g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
196.224g/mol
Monoisotopic Mass:
196.031g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
83.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2  

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