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

C8H14OS2 — CID 69122747

IUPAC(7-methylidene-1,5-dithiocan-3-yl)methanol
SMILESC=C1CSCC(CO)CSC1
InChIInChI=1S/C8H14OS2/c1-7-3-10-5-8(2-9)6-11-4-7/h8-9H,1-6H2
InChIKeyBAOUCGOMCKCPFU-UHFFFAOYSA-N
MW190.33 g/mol
LogP1.63
Rot. Bonds1

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

(7-methylidene-1,5-dithiocan-3-yl)methanol (PubChem CID 69122747) has the molecular formula C8H14OS2 and a molecular weight of 190.33 g/mol. Its IUPAC name is (7-methylidene-1,5-dithiocan-3-yl)methanol.

Molecular Properties

Compound Name(7-methylidene-1,5-dithiocan-3-yl)methanol
PubChem CID69122747
Molecular FormulaC8H14OS2
Molecular Weight190.33 g/mol
Exact Mass190.05
IUPAC Name(7-methylidene-1,5-dithiocan-3-yl)methanol
SMILESC=C1CSCC(CO)CSC1
InChIInChI=1S/C8H14OS2/c1-7-3-10-5-8(2-9)6-11-4-7/h8-9H,1-6H2
InChIKeyBAOUCGOMCKCPFU-UHFFFAOYSA-N
XLogP1.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.33
LogP ≤ 51.63
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

7-Methylene-1,5-dithiocane-3-ol
CID 22946761
Methanol;(7-methylidene-1,5-dithiocan-3-yl)methanol
CID 159803437
2-Methyl-3-(2-methylprop-2-enylsulfanyl)propan-1-ol
CID 66104072
3-[2-(3-Hydroxypropylsulfanylmethyl)prop-2-enylsulfanyl]propan-1-ol
CID 100955566

Frequently Asked Questions

What is the IUPAC name of (7-methylidene-1,5-dithiocan-3-yl)methanol?
The IUPAC name of (7-methylidene-1,5-dithiocan-3-yl)methanol (CID 69122747) is (7-methylidene-1,5-dithiocan-3-yl)methanol.
What is the SMILES notation for (7-methylidene-1,5-dithiocan-3-yl)methanol?
The canonical SMILES for (7-methylidene-1,5-dithiocan-3-yl)methanol is C=C1CSCC(CO)CSC1.
What is the InChIKey of (7-methylidene-1,5-dithiocan-3-yl)methanol?
The InChIKey is BAOUCGOMCKCPFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14OS2/c1-7-3-10-5-8(2-9)6-11-4-7/h8-9H,1-6H2.
What are the key properties of (7-methylidene-1,5-dithiocan-3-yl)methanol?
(7-methylidene-1,5-dithiocan-3-yl)methanol has a molecular weight of 190.33 g/mol, XLogP of 1.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-methylidene-1,5-dithiocan-3-yl)methanol is sourced from PubChem (CID 69122747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).