2-Butyl-1,3-dithiane

HCID 637975CAS 21792-53-0
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Basic information

Standard SMILES
CCCCC1SCCCS1
InChIKey
SNFKIFRRRLEODN-UHFFFAOYSA-N
Molecular formula
C8H16S2
Average molar mass
176.3 g/mol
Monoisotopic mass
176.06934251

Names & identifiers

Preferred name
2-Butyl-1,3-dithiane
IUPAC
2-butyl-1,3-dithiane

Names & synonyms

2-butyl-1,3-dithiane1,3-dithiane, 2-butyl-21792-53-0DTXSID70348527RefChem:257998DTXCID60299599InChI=1/C8H16S2/c1-2-3-5-8-9-6-4-7-10-8/h8H,2-7H2,1H2-butyl-[1,3]dithiane2-n-Butyl-1,3-dithianeSCHEMBL9677995SCHEMBL11173433SNFKIFRRRLEODN-UHFFFAOYSA-N

Database identifiers

CAS
21792-53-0
PubChem CID
637975
DTXSID
DTXSID70348527
Nikkaji
J548.874E

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
50.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
3
Heavy atoms
10

Related reactions

2 records
New reaction record

Linked notes

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