2,3-dihydro-1,4-dithiin-5-ylmethanol

C5H8OS2 — CID 10725505

IUPAC2,3-dihydro-1,4-dithiin-5-ylmethanol
SMILESOCC1=CSCCS1
InChIInChI=1S/C5H8OS2/c6-3-5-4-7-1-2-8-5/h4,6H,1-3H2
InChIKeyFKGJJBFNUUIFAG-UHFFFAOYSA-N
MW148.25 g/mol
LogP1.30
Rot. Bonds1

About 2,3-dihydro-1,4-dithiin-5-ylmethanol

2,3-dihydro-1,4-dithiin-5-ylmethanol (PubChem CID 10725505) has the molecular formula C5H8OS2 and a molecular weight of 148.25 g/mol. Its IUPAC name is 2,3-dihydro-1,4-dithiin-5-ylmethanol.

Molecular Properties

Compound Name2,3-dihydro-1,4-dithiin-5-ylmethanol
PubChem CID10725505
Molecular FormulaC5H8OS2
Molecular Weight148.25 g/mol
Exact Mass148.00
IUPAC Name2,3-dihydro-1,4-dithiin-5-ylmethanol
SMILESOCC1=CSCCS1
InChIInChI=1S/C5H8OS2/c6-3-5-4-7-1-2-8-5/h4,6H,1-3H2
InChIKeyFKGJJBFNUUIFAG-UHFFFAOYSA-N
XLogP1.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.25
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-Methyl-5,6-dihydro-1,4-dithiin-2-yl)methanol
CID 595487
2-Propylsulfanylprop-2-en-1-ol
CID 13331382
(Z)-2,3-bis(methylsulfanyl)prop-2-en-1-ol
CID 12170649
(e)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923931
(z)-2,2'-(Prop-1-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923932
2,2'-(Prop-2-ene-1,2-diylbis(sulfanediyl))bis(ethan-1-ol)
CID 177923933
2-Propen-1-ol, 3-(2-propenylthio)
CID 5352856
2-Ethylsulfanylprop-2-en-1-ol
CID 13331381
2-Propan-2-ylsulfanylprop-2-en-1-ol
CID 13331383
2-Butan-2-ylsulfanylprop-2-en-1-ol
CID 13331385
2-Butylsulfanylprop-2-en-1-ol
CID 15575918
1-(1-Hydroxyprop-2-enylsulfanyl)prop-2-en-1-ol
CID 19078198

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1,4-dithiin-5-ylmethanol?
The IUPAC name of 2,3-dihydro-1,4-dithiin-5-ylmethanol (CID 10725505) is 2,3-dihydro-1,4-dithiin-5-ylmethanol.
What is the SMILES notation for 2,3-dihydro-1,4-dithiin-5-ylmethanol?
The canonical SMILES for 2,3-dihydro-1,4-dithiin-5-ylmethanol is OCC1=CSCCS1.
What is the InChIKey of 2,3-dihydro-1,4-dithiin-5-ylmethanol?
The InChIKey is FKGJJBFNUUIFAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS2/c6-3-5-4-7-1-2-8-5/h4,6H,1-3H2.
What are the key properties of 2,3-dihydro-1,4-dithiin-5-ylmethanol?
2,3-dihydro-1,4-dithiin-5-ylmethanol has a molecular weight of 148.25 g/mol, XLogP of 1.30, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1,4-dithiin-5-ylmethanol is sourced from PubChem (CID 10725505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).