1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol

C8H14OS2 — CID 130130633

IUPAC1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1(C)SCCCS1
InChIInChI=1S/C8H14OS2/c1-3-7(9)8(2)10-5-4-6-11-8/h3,7,9H,1,4-6H2,2H3
InChIKeyWVZOPRGJCZUXFF-UHFFFAOYSA-N
MW190.33 g/mol
LogP2.12
Rot. Bonds2

About 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol

1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol (PubChem CID 130130633) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol.

Molecular Properties

Compound Name1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol
PubChem CID130130633
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol
SMILESC=CC(O)C1(C)SCCCS1
InChIInChI=1S/C8H14OS2/c1-3-7(9)8(2)10-5-4-6-11-8/h3,7,9H,1,4-6H2,2H3
InChIKeyWVZOPRGJCZUXFF-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(E)-1-(1,3-dithian-2-yl)but-2-en-1-ol
CID 12595238
(e)-1-(2-Methyl-1,3-dithian-2-yl)hex-2-en-1-ol
CID 101120970
(2S)-1-(1,3-dithian-2-yl)pent-4-en-2-ol
CID 11117182
(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
(E)-7-(1,3-dithian-2-yl)hept-4-en-3-ol
CID 135044471
4-Hydroxythiopyran, 2,3-dihydro-
CID 560299
5-(Methylsulfanyl)pent-1-en-3-ol
CID 46866736
1-(1,3-Dithian-4-yl)prop-2-en-1-ol
CID 88814444
1-(1,3-Dithiolan-4-yl)prop-2-en-1-ol
CID 88814800
(E,2R)-7-(1,3-dithian-2-yl)hept-3-en-2-ol
CID 11031762
(Z)-4-methylsulfanyl-4-prop-2-enylsulfanylbut-3-en-2-ol
CID 11106170

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol?
The IUPAC name of 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol (CID 130130633) is 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol.
What is the SMILES notation for 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol?
The canonical SMILES for 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol is C=CC(O)C1(C)SCCCS1.
What is the InChIKey of 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol?
The InChIKey is WVZOPRGJCZUXFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-3-7(9)8(2)10-5-4-6-11-8/h3,7,9H,1,4-6H2,2H3.
What are the key properties of 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol?
1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol has a molecular weight of 190.33 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1,3-dithian-2-yl)prop-2-en-1-ol is sourced from PubChem (CID 130130633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).