CID 89338306

C3H7OS6- — CID 89338306

IUPAC—
SMILESCCCOS(=S)(=S)[S-](=S)=S
InChIInChI=1S/C3H7OS6/c1-2-3-4-10(7,8)9(5)6/h2-3H2,1H3/q-1
InChIKeyWDGYTUMTFDVVBP-UHFFFAOYSA-N
MW251.49 g/mol
LogP0.86
Rot. Bonds4

About CID 89338306

CID 89338306 (PubChem CID 89338306) has the molecular formula C3H7OS6- and a molecular weight of 251.49 g/mol.

Molecular Properties

Compound NameCID 89338306
PubChem CID89338306
Molecular FormulaC3H7OS6-
Molecular Weight251.49 g/mol
Exact Mass250.88
IUPAC Name—
SMILESCCCOS(=S)(=S)[S-](=S)=S
InChIInChI=1S/C3H7OS6/c1-2-3-4-10(7,8)9(5)6/h2-3H2,1H3/q-1
InChIKeyWDGYTUMTFDVVBP-UHFFFAOYSA-N
XLogP0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.49
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_1', 'substructure': 'N/A'}

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Related Compounds

Trisulfanyloxyethane
CID 89072934
Disulfanyloxyethane
CID 89178705
CID 89316010
CID 89316010
CID 89328770
CID 89328770
CID 89330908
CID 89330908
CID 89388008
CID 89388008
Ethoxy-sulfanyl-bis(sulfanylidene)-lambda6-sulfane
CID 89415904
Ethoxy-(hennonacontasulfanyl)-bis(sulfanylidene)-lambda6-sulfane
CID 89472659
Pentatetracontasulfanyl-propoxy-bis(sulfanylidene)-lambda6-sulfane
CID 89472958
Ethoxy-bis(sulfanylidene)-(tetrasulfanyl)-lambda6-sulfane
CID 89489006
(Propoxysulfonodithioylpentasulfanyl) thiohypoiodite
CID 89502335
Pentasulfanyl-propoxy-bis(sulfanylidene)-lambda6-sulfane
CID 89514008

Frequently Asked Questions

What is the IUPAC name of CID 89338306?
The IUPAC name of CID 89338306 (CID 89338306) is not available.
What is the SMILES notation for CID 89338306?
The canonical SMILES for CID 89338306 is CCCOS(=S)(=S)[S-](=S)=S.
What is the InChIKey of CID 89338306?
The InChIKey is WDGYTUMTFDVVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7OS6/c1-2-3-4-10(7,8)9(5)6/h2-3H2,1H3/q-1.
What are the key properties of CID 89338306?
CID 89338306 has a molecular weight of 251.49 g/mol, XLogP of 0.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89338306 is sourced from PubChem (CID 89338306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).