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501074-85-7 | 2-(tert-butylsulfanyl)pyridine-4-carbonitrile
CAS No: 501074-85-7 Catalog No: AG01A52V MDL No:MFCD11136355
Product Description
Catalog Number:
AG01A52V
Chemical Name:
2-(tert-butylsulfanyl)pyridine-4-carbonitrile
CAS Number:
501074-85-7
Molecular Formula:
C10H12N2S
Molecular Weight:
192.2807
MDL Number:
MFCD11136355
IUPAC Name:
2-tert-butylsulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C10H12N2S/c1-10(2,3)13-9-6-8(7-11)4-5-12-9/h4-6H,1-3H3
InChI Key:
PQMTYQGEOMDXFT-UHFFFAOYSA-N
SMILES:
N#Cc1ccnc(c1)SC(C)(C)C
NSC Number:
193466
Properties
Complexity:
211
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
192.072g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
192.28g/mol
Monoisotopic Mass:
192.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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