CID 174427975

C10H22O2S6 — CID 174427975

IUPAC—
SMILESCCOC(=S)SCC.CCOC(=S)SCC.SS
InChIInChI=1S/2C5H10OS2.H2S2/c2*1-3-6-5(7)8-4-2;1-2/h2*3-4H2,1-2H3;1-2H
InChIKeySCAJWXQQLKIFBI-UHFFFAOYSA-N
MW366.69 g/mol
LogP4.88
Rot. Bonds4

About CID 174427975

CID 174427975 (PubChem CID 174427975) has the molecular formula C10H22O2S6 and a molecular weight of 366.69 g/mol.

Molecular Properties

Compound NameCID 174427975
PubChem CID174427975
Molecular FormulaC10H22O2S6
Molecular Weight366.69 g/mol
Exact Mass365.99
IUPAC Name—
SMILESCCOC(=S)SCC.CCOC(=S)SCC.SS
InChIInChI=1S/2C5H10OS2.H2S2/c2*1-3-6-5(7)8-4-2;1-2/h2*3-4H2,1-2H3;1-2H
InChIKeySCAJWXQQLKIFBI-UHFFFAOYSA-N
XLogP4.88
TPSA18.46 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.69
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

O-ethyl ethylsulfanylmethanethioate;propanoic acid
CID 175095142
ethoxycarbothioylsulfanylmethanesulfonate
CID 23517443
O-ethyl pentasulfanylmethanethioate
CID 175415469
O-ethyl [(ethoxycarbothioyldisulfanyl)methyldisulfanyl]methanethioate
CID 54172879
ethoxymethanedithioic acid
CID 8823
O-ethyl (3-methylsulfonyl-2-oxopropyl)sulfanylmethanethioate
CID 142750039
18-ethoxycarbothioylsulfanyloctadecanoic acid
CID 44542132
ethoxymethanedithioic acid;nickel
CID 54611890
bis(ethoxymethanedithioic acid);sulfane
CID 88801631
tetrakis(ethoxymethanedithioic acid);sulfane
CID 173034920
CID 131880811
CID 131880811
bis(ethoxymethanedithioic acid);ruthenium(2+)
CID 50910321

Frequently Asked Questions

What is the IUPAC name of CID 174427975?
The IUPAC name of CID 174427975 (CID 174427975) is not available.
What is the SMILES notation for CID 174427975?
The canonical SMILES for CID 174427975 is CCOC(=S)SCC.CCOC(=S)SCC.SS.
What is the InChIKey of CID 174427975?
The InChIKey is SCAJWXQQLKIFBI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10OS2.H2S2/c2*1-3-6-5(7)8-4-2;1-2/h2*3-4H2,1-2H3;1-2H.
What are the key properties of CID 174427975?
CID 174427975 has a molecular weight of 366.69 g/mol, XLogP of 4.88, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174427975 is sourced from PubChem (CID 174427975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).