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N-{[4-(methylsulfanyl)phenyl]methyl}cyclopropanamine

N-{[4-(methylsulfanyl)phenyl]methyl}cyclopropanamine

Formula: C11H15NS

SMILES: CSC1=CC=C(CNC2CC2)C=C1

IUPAC: N-{[4-(methylsulfanyl)phenyl]methyl}cyclopropanamine

InChI: InChI=1S/C11H15NS/c1-13-11-6-2-9(3-7-11)8-12-10-4-5-10/h2-3,6-7,10,12H,4-5,8H2,1H3

Composition: C (68.35%), H (7.82%), N (7.25%), S (16.58%)

Molar Mass: 193.31

Atom Count: 28

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 193.092520661
Formal Charge 0
FSP3 0.45
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey IGTPZGXOHNYESV-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.28
Topological Polar Surface Area 12.03
Polarizability 23.41
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C11H15NS $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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