4-phenoxyphenylthiourea

4-phenoxyphenylthiourea

CAS: 76839-21-9

Formula: C13H12N2OS

SMILES: NC(=S)NC1=CC=C(OC2=CC=CC=C2)C=C1

IUPAC: (4-phenoxyphenyl)thiourea

InChI: InChI=1S/C13H12N2OS/c14-13(17)15-10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H3,14,15,17)

Composition: C (63.91%), H (4.95%), N (11.47%), O (6.55%), S (13.12%)

Molar Mass: 244.31

Atom Count: 29

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	244.067034188
Formal Charge	0
FSP3	0
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	SSZWMEWZRURHTK-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	73.83
Topological Polar Surface Area	47.28
Polarizability	28.24
Ring Count	2
Rotatable Bond Count	3

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