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1-(1-benzothiophen-5-yl)methanamine

1-(1-benzothiophen-5-yl)methanamine

CAS: 56540-52-4

Formula: C9H9NS

SMILES: NCC1=CC=C2SC=CC2=C1

IUPAC: 1-(1-benzothiophen-5-yl)methanamine

InChI: InChI=1S/C9H9NS/c10-6-7-1-2-9-8(5-7)3-4-11-9/h1-5H,6,10H2

Composition: C (66.22%), H (5.56%), N (8.58%), S (19.64%)

Molar Mass: 163.24

Atom Count: 20

Heavy Atom Count: 11

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 163.045570468
Formal Charge 0
FSP3 0.11
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 1
InChIKey QUXRGPGYJFNJAG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.87
Topological Polar Surface Area 26.02
Polarizability 19.91
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
97% <2 Days 56540-52-4 $51.35-$408.60$51.35$63.37$86.31$408.60
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