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

HCID 22331CAS 6008-74-8
Substructure searchFind similar structures

Basic information

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 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
9

Related reactions

2 records
New reaction record

Linked notes

Loading…