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3-amino-1-(1-benzothiophen-5-yl)urea

3-amino-1-(1-benzothiophen-5-yl)urea

CAS: 1488675-62-2

Formula: C9H9N3OS

SMILES: NNC(=O)NC1=CC=C2SC=CC2=C1

IUPAC: 3-amino-1-(1-benzothiophen-5-yl)urea

InChI: InChI=1S/C9H9N3OS/c10-12-9(13)11-7-1-2-8-6(5-7)3-4-14-8/h1-5H,10H2,(H2,11,12,13)

Composition: C (52.16%), H (4.38%), N (20.28%), O (7.72%), S (15.47%)

Molar Mass: 207.25

Atom Count: 23

Heavy Atom Count: 14

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 207.046633096
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 3
InChIKey GAHSNVACBGXPFD-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 57.42
Topological Polar Surface Area 67.15
Polarizability 22.09
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 1488675-62-2 $235.87-$825.55$235.87$412.78$825.55
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