2-chloro-1-[(2-chloro-4-isothiocyanatophenyl)methyl]-4-isothiocyanatobenzene

2-chloro-1-[(2-chloro-4-isothiocyanatophenyl)methyl]-4-isothiocyanatobenzene

CAS: 206761-69-5

Formula: C15H8Cl2N2S2

SMILES: ClC1=CC(=CC=C1CC1=CC=C(C=C1Cl)N=C=S)N=C=S

IUPAC: 2-chloro-1-[(2-chloro-4-isothiocyanatophenyl)methyl]-4-isothiocyanatobenzene

InChI: InChI=1S/C15H8Cl2N2S2/c16-14-6-12(18-8-20)3-1-10(14)5-11-2-4-13(19-9-21)7-15(11)17/h1-4,6-7H,5H2

Composition: C (51.29%), H (2.30%), Cl (20.18%), N (7.98%), S (18.25%)

Molar Mass: 351.26

Atom Count: 29

Heavy Atom Count: 21

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	349.950596
Formal Charge	0
FSP3	0.07
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	BBTPDEXFDOLKKA-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	99.53
Topological Polar Surface Area	24.72
Polarizability	36.81
Ring Count	2
Rotatable Bond Count	4

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	206761-69-5		$316.71-$558.90$316.71$558.90