isoquinolin-5-ylthiourea

isoquinolin-5-ylthiourea

CAS: 72677-72-6

Formula: C10H9N3S

SMILES: NC(=S)NC1=C2C=CN=CC2=CC=C1

IUPAC: (isoquinolin-5-yl)thiourea

InChI: InChI=1S/C10H9N3S/c11-10(14)13-9-3-1-2-7-6-12-5-4-8(7)9/h1-6H,(H3,11,13,14)

Composition: C (59.09%), H (4.46%), N (20.67%), S (15.77%)

Molar Mass: 203.26

Atom Count: 23

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	203.051718476
Formal Charge	0
FSP3	0
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	XQPWHCXCGYRECQ-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.88
Topological Polar Surface Area	50.94
Polarizability	24.57
Ring Count	2
Rotatable Bond Count	1

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Purity	LeadTime	CAS	PacketSize	UnitPrice
90%	<2 Days	72677-72-6		$51.35-$524.40$51.35$63.37$86.31$524.40