1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea

1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea

CAS: 871828-95-4

Formula: C18H14F6N2OS

SMILES: O[C@H]1CC2=C(C=CC=C2)[C@H]1NC(=S)NC1=CC(=CC(=C1)C(F)(F)F)C(F)(F)F

IUPAC: 1-[3,5-bis(trifluoromethyl)phenyl]-3-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]thiourea

InChI: InChI=1S/C18H14F6N2OS/c19-17(20,21)10-6-11(18(22,23)24)8-12(7-10)25-16(28)26-15-13-4-2-1-3-9(13)5-14(15)27/h1-4,6-8,14-15,27H,5H2,(H2,25,26,28)/t14-,15+/m0/s1

Composition: C (51.43%), H (3.36%), F (27.12%), N (6.66%), O (3.81%), S (7.63%)

Molar Mass: 420.37

Atom Count: 42

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	2
Exact Mass	420.073103231
Formal Charge	0
FSP3	0.28
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	3
InChIKey	SUSUBFXIXQAEHC-LSDHHAIUSA-N
Lipinski's Rule of Five	1
Molar Refractivity	97.99
Topological Polar Surface Area	44.29
Polarizability	35.16
Ring Count	3
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	871828-95-4		$41.61$41.61