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

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

CAS: 1082766-37-7

Formula: C11H17NS

SMILES: CC1=CC=CC(CSCCCN)=C1

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

InChI: InChI=1S/C11H17NS/c1-10-4-2-5-11(8-10)9-13-7-3-6-12/h2,4-5,8H,3,6-7,9,12H2,1H3

Composition: C (67.64%), H (8.77%), N (7.17%), S (16.41%)

Molar Mass: 195.32

Atom Count: 30

Heavy Atom Count: 13

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	195.108170725
Formal Charge	0
FSP3	0.45
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	1
InChIKey	YROVBQZVOWGWLG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.46
Topological Polar Surface Area	26.02
Polarizability	24.1
Ring Count	1
Rotatable Bond Count	5

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