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2-chloro-5-[(methylsulfanyl)methyl]pyridine

2-chloro-5-[(methylsulfanyl)methyl]pyridine

CAS: 1021870-94-9

Formula: C7H8ClNS

SMILES: CSCC1=CN=C(Cl)C=C1

IUPAC: 2-chloro-5-[(methylsulfanyl)methyl]pyridine

InChI: InChI=1S/C7H8ClNS/c1-10-5-6-2-3-7(8)9-4-6/h2-4H,5H2,1H3

Composition: C (48.42%), H (4.64%), Cl (20.41%), N (8.07%), S (18.46%)

Molar Mass: 173.66

Atom Count: 18

Heavy Atom Count: 10

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 173.0065981
Formal Charge 0
FSP3 0.29
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey BAADUTXORNOKIP-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.26
Topological Polar Surface Area 12.89
Polarizability 18.1
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% <4 Days 1021870-94-9 $105.80-$495.65$105.80$177.10$495.65
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