4-(1,3-dithian-2-ylidene)butan-2-ol

C8H14OS2 — CID 130151953

IUPAC4-(1,3-dithian-2-ylidene)butan-2-ol
SMILESCC(O)CC=C1SCCCS1
InChIInChI=1S/C8H14OS2/c1-7(9)3-4-8-10-5-2-6-11-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeyIJKDLWYNFCFKGZ-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.47
Rot. Bonds2

About 4-(1,3-dithian-2-ylidene)butan-2-ol

4-(1,3-dithian-2-ylidene)butan-2-ol (PubChem CID 130151953) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 4-(1,3-dithian-2-ylidene)butan-2-ol.

Molecular Properties

Compound Name4-(1,3-dithian-2-ylidene)butan-2-ol
PubChem CID130151953
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name4-(1,3-dithian-2-ylidene)butan-2-ol
SMILESCC(O)CC=C1SCCCS1
InChIInChI=1S/C8H14OS2/c1-7(9)3-4-8-10-5-2-6-11-8/h4,7,9H,2-3,5-6H2,1H3
InChIKeyIJKDLWYNFCFKGZ-UHFFFAOYSA-N
XLogP2.47
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 11117182
(2R,3S)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 388414
1-(1,3-Dithian-2-ylidene)-2-methyl-3-pentanol
CID 496245
3-(1,3-Dithian-2-ylidene)propan-1-ol
CID 12779643
(2S)-1-(1,3-dithian-2-ylidene)propan-2-ol
CID 14271501
(2R)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 101526097
(2S,3R)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 10104815
4-(1,3-Dithian-2-ylidene)butan-1-ol
CID 11171499
(2R,3R)-1-(1,3-dithian-2-ylidene)-2-methylpentan-3-ol
CID 13741387
(2S,3R)-1-(1,3-dithian-2-ylidene)-2,4-dimethylpentan-3-ol
CID 13741392
(E)-1-butylsulfanyl-1-methylsulfanylpent-1-en-3-ol
CID 21673585
1-(1,4-Dithian-2-yl)but-3-en-1-ol
CID 79972296

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-dithian-2-ylidene)butan-2-ol?
The IUPAC name of 4-(1,3-dithian-2-ylidene)butan-2-ol (CID 130151953) is 4-(1,3-dithian-2-ylidene)butan-2-ol.
What is the SMILES notation for 4-(1,3-dithian-2-ylidene)butan-2-ol?
The canonical SMILES for 4-(1,3-dithian-2-ylidene)butan-2-ol is CC(O)CC=C1SCCCS1.
What is the InChIKey of 4-(1,3-dithian-2-ylidene)butan-2-ol?
The InChIKey is IJKDLWYNFCFKGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-7(9)3-4-8-10-5-2-6-11-8/h4,7,9H,2-3,5-6H2,1H3.
What are the key properties of 4-(1,3-dithian-2-ylidene)butan-2-ol?
4-(1,3-dithian-2-ylidene)butan-2-ol has a molecular weight of 190.33 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dithian-2-ylidene)butan-2-ol is sourced from PubChem (CID 130151953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).