1-(4-chlorophenyl)-3-phenylthiourea

1-(4-chlorophenyl)-3-phenylthiourea

CAS: 7392-67-8

Formula: C13H11ClN2S

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

IUPAC: 1-(4-chlorophenyl)-3-phenylthiourea

InChI: InChI=1S/C13H11ClN2S/c14-10-6-8-12(9-7-10)16-13(17)15-11-4-2-1-3-5-11/h1-9H,(H2,15,16,17)

Composition: C (59.43%), H (4.22%), Cl (13.49%), N (10.66%), S (12.20%)

Molar Mass: 262.76

Atom Count: 28

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	262.0331472
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	XYAKDKSYCSTBMN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	78.85
Topological Polar Surface Area	24.06
Polarizability	29.33
Ring Count	2
Rotatable Bond Count	2

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