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3-{[(3-chlorophenyl)methyl]sulfanyl}propan-1-amine

3-{[(3-chlorophenyl)methyl]sulfanyl}propan-1-amine

CAS: 1185320-24-4

Formula: C10H14ClNS

SMILES: NCCCSCC1=CC=CC(Cl)=C1

IUPAC: 3-{[(3-chlorophenyl)methyl]sulfanyl}propan-1-amine

InChI: InChI=1S/C10H14ClNS/c11-10-4-1-3-9(7-10)8-13-6-2-5-12/h1,3-4,7H,2,5-6,8,12H2

Composition: C (55.67%), H (6.54%), Cl (16.43%), N (6.49%), S (14.86%)

Molar Mass: 215.74

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 215.0535483
Formal Charge 0
FSP3 0.4
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey RPKSLIJHMBOHQI-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.22
Topological Polar Surface Area 26.02
Polarizability 24.14
Ring Count 1
Rotatable Bond Count 5

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