6-chloro-2-(methylsulfanyl)-1,3-benzoxazole

6-chloro-2-(methylsulfanyl)-1,3-benzoxazole

CAS: 1071296-64-4

Formula: C8H6ClNOS

SMILES: CSC1=NC2=CC=C(Cl)C=C2O1

IUPAC: 6-chloro-2-(methylsulfanyl)-1,3-benzoxazole

InChI: InChI=1S/C8H6ClNOS/c1-12-8-10-6-3-2-5(9)4-7(6)11-8/h2-4H,1H3

Composition: C (48.13%), H (3.03%), Cl (17.76%), N (7.02%), O (8.01%), S (16.06%)

Molar Mass: 199.65

Atom Count: 18

Heavy Atom Count: 12

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	198.9858627
Formal Charge	0
FSP3	0.12
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	1
Hydrogen Bond Donor Count	0
InChIKey	URXIJEWVHCFAHG-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	49.76
Topological Polar Surface Area	26.03
Polarizability	20.61
Ring Count	2
Rotatable Bond Count	1

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