3-{[(2-fluorophenyl)methyl]sulfanyl}propan-1-amine

3-{[(2-fluorophenyl)methyl]sulfanyl}propan-1-amine

CAS: 1123169-59-4

Formula: C10H14FNS

SMILES: NCCCSCC1=C(F)C=CC=C1

IUPAC: 3-{[(2-fluorophenyl)methyl]sulfanyl}propan-1-amine

InChI: InChI=1S/C10H14FNS/c11-10-5-2-1-4-9(10)8-13-7-3-6-12/h1-2,4-5H,3,6-8,12H2

Composition: C (60.27%), H (7.08%), F (9.53%), N (7.03%), S (16.09%)

Molar Mass: 199.29

Atom Count: 27

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	199.083098792
Formal Charge	0
FSP3	0.4
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	DMYIFAMQXJFTJA-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.63
Topological Polar Surface Area	26.02
Polarizability	21.93
Ring Count	1
Rotatable Bond Count	5

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