1-chloro-4-(2-isothiocyanatoethyl)benzene

1-chloro-4-(2-isothiocyanatoethyl)benzene

CAS: 17608-10-5

Formula: C9H8ClNS

SMILES: ClC1=CC=C(CCN=C=S)C=C1

IUPAC: 1-chloro-4-(2-isothiocyanatoethyl)benzene

InChI: InChI=1S/C9H8ClNS/c10-9-3-1-8(2-4-9)5-6-11-7-12/h1-4H,5-6H2

Composition: C (54.68%), H (4.08%), Cl (17.93%), N (7.09%), S (16.22%)

Molar Mass: 197.68

Atom Count: 20

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	197.0065981
Formal Charge	0
FSP3	0.22
Hetero Ring Count	0
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	MRJJYUJULSZFDV-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	55.5
Topological Polar Surface Area	12.36
Polarizability	21.51
Ring Count	1
Rotatable Bond Count	3

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Purity	LeadTime	CAS	PacketSize	UnitPrice
98%	<7 Days	17608-10-5		$202.86-$657.23$202.86$285.66$657.23