5-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

5-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

CAS: 166964-33-6

Formula: C9H6Cl2O2S2

SMILES: CC1=C(SC2=CC=C(Cl)C=C12)S(Cl)(=O)=O

IUPAC: 5-chloro-3-methyl-1-benzothiophene-2-sulfonyl chloride

InChI: InChI=1S/C9H6Cl2O2S2/c1-5-7-4-6(10)2-3-8(7)14-9(5)15(11,12)13/h2-4H,1H3

Composition: C (38.45%), H (2.15%), Cl (25.22%), O (11.38%), S (22.81%)

Molar Mass: 281.17

Atom Count: 21

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	2
Asymmetric Atom Count	0
Exact Mass	279.9186272
Formal Charge	0
FSP3	0.11
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	JLTUANWNGKWRQO-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.6
Topological Polar Surface Area	34.14
Polarizability	26.25
Ring Count	2
Rotatable Bond Count	1

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