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1-benzothiophene-5-sulfonyl chloride

1-benzothiophene-5-sulfonyl chloride

CAS: 128852-05-1

Formula: C8H5ClO2S2

SMILES: ClS(=O)(=O)C1=CC=C2SC=CC2=C1

IUPAC: 1-benzothiophene-5-sulfonyl chloride

InChI: InChI=1S/C8H5ClO2S2/c9-13(10,11)7-1-2-8-6(5-7)3-4-12-8/h1-5H

Composition: C (41.29%), H (2.17%), Cl (15.23%), O (13.75%), S (27.56%)

Molar Mass: 232.7

Atom Count: 18

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 231.9419494
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey GBTJHYDVNAYQMM-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 53.59
Topological Polar Surface Area 34.14
Polarizability 22.54
Ring Count 2
Rotatable Bond Count 1

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Purity LeadTime CAS PacketSize UnitPrice
95% <6 Days 128852-05-1 $266.80-$7,687.75$266.80$373.75$511.75$782.00$989.00$2,028.60$3,961.75$7,687.75
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