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3145-77-5 | 2-[(methylsulfanyl)methyl]pyridine
CAS No: 3145-77-5 Catalog No: AG00K070 MDL No:MFCD30333856
Product Description
Catalog Number:
AG00K070
Chemical Name:
2-[(methylsulfanyl)methyl]pyridine
CAS Number:
3145-77-5
Molecular Formula:
C7H9NS
Molecular Weight:
139.2181
MDL Number:
MFCD30333856
IUPAC Name:
2-(methylsulfanylmethyl)pyridine
InChI:
InChI=1S/C7H9NS/c1-9-6-7-4-2-3-5-8-7/h2-5H,6H2,1H3
InChI Key:
KWXDPVBKJYKQIM-UHFFFAOYSA-N
SMILES:
CSCc1ccccn1
NSC Number:
102541
Properties
Complexity:
75.3
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
139.046g/mol
Formal Charge:
0
Heavy Atom Count:
9
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
139.216g/mol
Monoisotopic Mass:
139.046g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
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