1,3-Dithiolane, 4-(chloromethyl)-2,2-dimethyl-

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Basic information

CAS: 6008-74-8
Standard SMILES: CC1(C)SCC(CCl)S1
InChIKey: SGFKSWJIHZQDSJ-UHFFFAOYSA-N
Molecular formula: C6H11ClS2
Average molar mass: 182.7 g/mol
Monoisotopic mass: 181.99907003

Names & identifiers

Preferred name: 1,3-Dithiolane, 4-(chloromethyl)-2,2-dimethyl-
IUPAC: 4-(chloromethyl)-2,2-dimethyl-1,3-dithiolane

Names & synonyms

4-(Chloromethyl)-2,2-dimethyl-1,3-dithiolaneBRN 01045121,3-DITHIOLANE, 4-(CHLOROMETHYL)-2,2-DIMETHYL-DTXSID509755124-19-00-00071 (Beilstein Handbook Reference)RefChem:219200DTXCID9014029136008-74-8SCHEMBL10724892SGFKSWJIHZQDSJ-UHFFFAOYSA-N4-Chloromethyl-2,2-dimethyl-1,3-dithiolan

Database identifiers

CAS: 6008-74-8
PubChem CID: 22331
DTXSID: DTXSID50975512
Nikkaji: J91.142I

Properties

Computed structural properties

XLogP: 2.7
Topological polar surface area: 50.6 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 2
Rotatable bonds: 1
Heavy atoms: 9
Formal charge: 0
Complexity: 103

Related reactions

2 records

New reaction record

HRID 256284As productuspto-grants-1987_10

HRID 946320As productValidation data from https://doi.org/10.1039/C8SC04228D

Compound notes

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