tioconazole

tioconazole

CAS: 65899-73-2

Formula: C16H13Cl3N2OS

SMILES: ClC1=C(COC(CN2C=CN=C2)C2=CC=C(Cl)C=C2Cl)C=CS1

IUPAC: 1-{2-[(2-chlorothiophen-3-yl)methoxy]-2-(2,4-dichlorophenyl)ethyl}-1H-imidazole

InChI: InChI=1/C16H13Cl3N2OS/c17-12-1-2-13(14(18)7-12)15(8-21-5-4-20-10-21)22-9-11-3-6-23-16(11)19/h1-7,10,15H,8-9H2

Composition: C (49.57%), H (3.38%), Cl (27.43%), N (7.23%), O (4.13%), S (8.27%)

Molar Mass: 387.7

Atom Count: 36

Heavy Atom Count: 23

Properties

Properties

Common Names	C16H13cl3N2OS; GyneCure; fungibacid; gyno-trosyd; monistat 1; mykontral; personal brand of tioconazole; pfizer brand of tioconazole; riemser brand of tioconazole; teofarma brand of tioconazole; tioconazol; tioconazole; tioconazole (product); tioconazole (substance); tioconazole preparation; trosderm; trosid; trosyd; trosyd AF; trosyd J; trosyl; vagistat; vagistat-1; zoniden
Aromatic Ring Count	3
Asymmetric Atom Count	1
Exact Mass	385.9814173
Formal Charge	0
FSP3	0.19
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QXHHHPZILQDDPS-UHFFFAOYNA-N
Lipinski's Rule of Five
Molar Refractivity	94.53
Topological Polar Surface Area	27.05
Polarizability	36.87
Ring Count	3
Rotatable Bond Count	6

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