methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol

C9H18O2S2 — CID 159803437

IUPACmethanol;(7-methylidene-1,5-dithiocan-3-yl)methanol
SMILESC=C1CSCC(CO)CSC1.CO
InChIInChI=1S/C8H14OS2.CH4O/c1-7-3-10-5-8(2-9)6-11-4-7;1-2/h8-9H,1-6H2;2H,1H3
InChIKeyNKBSUIHSFGZQLW-UHFFFAOYSA-N
MW222.37 g/mol
LogP1.24
Rot. Bonds1

About methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol

methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol (PubChem CID 159803437) has the molecular formula C9H18O2S2 and a molecular weight of 222.37 g/mol. Its IUPAC name is methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol.

Molecular Properties

Compound Namemethanol;(7-methylidene-1,5-dithiocan-3-yl)methanol
PubChem CID159803437
Molecular FormulaC9H18O2S2
Molecular Weight222.37 g/mol
Exact Mass222.07
IUPAC Namemethanol;(7-methylidene-1,5-dithiocan-3-yl)methanol
SMILESC=C1CSCC(CO)CSC1.CO
InChIInChI=1S/C8H14OS2.CH4O/c1-7-3-10-5-8(2-9)6-11-4-7;1-2/h8-9H,1-6H2;2H,1H3
InChIKeyNKBSUIHSFGZQLW-UHFFFAOYSA-N
XLogP1.24
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.37
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-3-methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
CID 11095131
(7-Methylidene-1,5-dithiocan-3-yl)methanol
CID 69122747
2-[2-(2-Hydroxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 87094059
2-[2-(Propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 89211763
2-[2-(2-Methoxyethylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 89603560
Methane;2-(2-methyl-3-propylsulfanylpropyl)sulfanylethanol;2-[2-(propylsulfanylmethyl)prop-2-enylsulfanyl]ethanol
CID 162166485
4-(2-Methylprop-2-enylsulfanyl)butan-1-ol
CID 10012184
3-Methyl-2-(2-methylprop-2-enylsulfanyl)butan-1-ol
CID 20583884
2-Methyl-3-(3-methylbut-2-enylsulfanyl)propan-1-ol
CID 66102879
2-Methyl-3-(2-methylidenebutylsulfanyl)propan-1-ol
CID 66104004
2-Methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 66104072
3-(2-Methylprop-2-enylsulfanyl)butan-1-ol
CID 66139294

Frequently Asked Questions

What is the IUPAC name of methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol?
The IUPAC name of methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol (CID 159803437) is methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol.
What is the SMILES notation for methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol?
The canonical SMILES for methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol is C=C1CSCC(CO)CSC1.CO.
What is the InChIKey of methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol?
The InChIKey is NKBSUIHSFGZQLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2.CH4O/c1-7-3-10-5-8(2-9)6-11-4-7;1-2/h8-9H,1-6H2;2H,1H3.
What are the key properties of methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol?
methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol has a molecular weight of 222.37 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol is sourced from PubChem (CID 159803437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).