4-chloro-2-(trifluoromethyl)phenylthiourea

4-chloro-2-(trifluoromethyl)phenylthiourea

CAS: 648415-77-4

Formula: C8H6ClF3N2S

SMILES: NC(=S)NC1=C(C=C(Cl)C=C1)C(F)(F)F

IUPAC: [4-chloro-2-(trifluoromethyl)phenyl]thiourea

InChI: InChI=1S/C8H6ClF3N2S/c9-4-1-2-6(14-7(13)15)5(3-4)8(10,11)12/h1-3H,(H3,13,14,15)

Composition: C (37.73%), H (2.37%), Cl (13.92%), F (22.38%), N (11.00%), S (12.59%)

Molar Mass: 254.66

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	253.9892316
Formal Charge	0
FSP3	0.12
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	0
Hydrogen Bond Donor Count	2
InChIKey	JMSNNHIKKZRCPH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	58.37
Topological Polar Surface Area	38.05
Polarizability	20.94
Ring Count	1
Rotatable Bond Count	2

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