3-{[(2-chlorophenyl)methylidene]amino}-1-phenylthiourea

3-{[(2-chlorophenyl)methylidene]amino}-1-phenylthiourea

CAS: 1452841-52-9

Formula: C14H12ClN3S

SMILES: ClC1=C(C=NNC(=S)NC2=CC=CC=C2)C=CC=C1

IUPAC: 3-{[(2-chlorophenyl)methylidene]amino}-1-phenylthiourea

InChI: InChI=1S/C14H12ClN3S/c15-13-9-5-4-6-11(13)10-16-18-14(19)17-12-7-2-1-3-8-12/h1-10H,(H2,17,18,19)

Composition: C (58.03%), H (4.17%), Cl (12.23%), N (14.50%), S (11.06%)

Molar Mass: 289.78

Atom Count: 31

Heavy Atom Count: 19

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	289.0440463
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	2
InChIKey	RZHZSGICBDFBBE-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	85.49
Topological Polar Surface Area	36.42
Polarizability	31.92
Ring Count	2
Rotatable Bond Count	3

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90%	<2 Days	1452841-52-9		$51.35-$524.40$51.35$63.37$86.31$524.40