bis(ethylsulfanyl)methanol

C5H12OS2 — CID 175288915

IUPACbis(ethylsulfanyl)methanol
SMILESCCSC(O)SCC
InChIInChI=1S/C5H12OS2/c1-3-7-5(6)8-4-2/h5-6H,3-4H2,1-2H3
InChIKeyLLYVUTSGIDQNGO-UHFFFAOYSA-N
MW152.28 g/mol
LogP1.77
Rot. Bonds4

About bis(ethylsulfanyl)methanol

bis(ethylsulfanyl)methanol (PubChem CID 175288915) has the molecular formula C5H12OS2 and a molecular weight of 152.28 g/mol. Its IUPAC name is bis(ethylsulfanyl)methanol.

Molecular Properties

Compound Namebis(ethylsulfanyl)methanol
PubChem CID175288915
Molecular FormulaC5H12OS2
Molecular Weight152.28 g/mol
Exact Mass152.03
IUPAC Namebis(ethylsulfanyl)methanol
SMILESCCSC(O)SCC
InChIInChI=1S/C5H12OS2/c1-3-7-5(6)8-4-2/h5-6H,3-4H2,1-2H3
InChIKeyLLYVUTSGIDQNGO-UHFFFAOYSA-N
XLogP1.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.28
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

1-ethylsulfanylpropane-1,2-diol
CID 87617073
1,4-bis(ethylsulfanyl)butane-1,4-diol
CID 88730101
(2S,3R,4R)-1,1-bis(ethylsulfanyl)hexane-2,3,4-triol
CID 118442091
[ethylsulfanyl(fluoro)methyl]sulfanylethane
CID 139914135
(2R,3S,4S,5R,6R,7S)-8,8-bis(ethylsulfanyl)octane-1,2,3,4,5,6,7-heptol
CID 121012727
ethyl 2-ethylsulfanyl-2-hydroxyacetate
CID 174269935
2-ethylsulfanylbutane
CID 521270
butyl-ethylsulfanyl-dihydroxyphosphanium
CID 172772660
4,4-bis(ethylsulfanyl)butan-1-ol
CID 71424924
acetic acid;2,2-bis(ethylsulfanyl)acetic acid
CID 88803387
zinc bis(2-ethylsulfanylpropanoate)
CID 87181649
2,9-bis(ethylsulfanyl)decane-1,10-diol
CID 154144838

Frequently Asked Questions

What is the IUPAC name of bis(ethylsulfanyl)methanol?
The IUPAC name of bis(ethylsulfanyl)methanol (CID 175288915) is bis(ethylsulfanyl)methanol.
What is the SMILES notation for bis(ethylsulfanyl)methanol?
The canonical SMILES for bis(ethylsulfanyl)methanol is CCSC(O)SCC.
What is the InChIKey of bis(ethylsulfanyl)methanol?
The InChIKey is LLYVUTSGIDQNGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12OS2/c1-3-7-5(6)8-4-2/h5-6H,3-4H2,1-2H3.
What are the key properties of bis(ethylsulfanyl)methanol?
bis(ethylsulfanyl)methanol has a molecular weight of 152.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for bis(ethylsulfanyl)methanol is sourced from PubChem (CID 175288915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).