2-butylidene-1,3-dithiane

C8H14S2 — CID 11745136

IUPAC2-butylidene-1,3-dithiane
SMILESCCCC=C1SCCCS1
InChIInChI=1S/C8H14S2/c1-2-3-5-8-9-6-4-7-10-8/h5H,2-4,6-7H2,1H3
InChIKeyLOOJCZBQBKRMQV-UHFFFAOYSA-N
MW174.33 g/mol
LogP3.50
Rot. Bonds2

About 2-butylidene-1,3-dithiane

2-butylidene-1,3-dithiane (PubChem CID 11745136) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is 2-butylidene-1,3-dithiane.

Molecular Properties

Compound Name2-butylidene-1,3-dithiane
PubChem CID11745136
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name2-butylidene-1,3-dithiane
SMILESCCCC=C1SCCCS1
InChIInChI=1S/C8H14S2/c1-2-3-5-8-9-6-4-7-10-8/h5H,2-4,6-7H2,1H3
InChIKeyLOOJCZBQBKRMQV-UHFFFAOYSA-N
XLogP3.50
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Ethylidene-1,3-dithiane
CID 589592
1,3-Dithiane, 2-pentylidene-
CID 9855688
1,3-Dithiane, 2-propylidene-
CID 11643975
4-Ethylsulfanyl-4-methylsulfanylhexa-1,2-diene
CID 12384785
2-Hexylidene-1,3-dithiane
CID 12516766
2-Heptylidene-1,3-dithiane
CID 12516768
2-Methyl-2-prop-2-enyl-1,3-dithiane
CID 12524549
2-(2-Ethylsulfanylethyl)-2-prop-2-enyl-1,3-dithiane
CID 12530329
2-Ethenyl-2-methyl-1,3-dithiane
CID 13016307
6-Propyl-2,3-dihydrothiopyran
CID 148845343
Cyclohexa-2,3,4-trien-1-yl(dimethyl)sulfanium
CID 163522331
1,3-Dithiane;hex-1-ene
CID 175312419

Frequently Asked Questions

What is the IUPAC name of 2-butylidene-1,3-dithiane?
The IUPAC name of 2-butylidene-1,3-dithiane (CID 11745136) is 2-butylidene-1,3-dithiane.
What is the SMILES notation for 2-butylidene-1,3-dithiane?
The canonical SMILES for 2-butylidene-1,3-dithiane is CCCC=C1SCCCS1.
What is the InChIKey of 2-butylidene-1,3-dithiane?
The InChIKey is LOOJCZBQBKRMQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14S2/c1-2-3-5-8-9-6-4-7-10-8/h5H,2-4,6-7H2,1H3.
What are the key properties of 2-butylidene-1,3-dithiane?
2-butylidene-1,3-dithiane has a molecular weight of 174.33 g/mol, XLogP of 3.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butylidene-1,3-dithiane is sourced from PubChem (CID 11745136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).