CID 89388008

C3H7OS7- — CID 89388008

IUPAC—
SMILESCCCO[S-](=S)=S(=S)=S(=S)=S
InChIInChI=1S/C3H7OS7/c1-2-3-4-9(5)11(8)10(6)7/h2-3H2,1H3/q-1
InChIKeyNFJKBBAMEAOARS-UHFFFAOYSA-N
MW283.56 g/mol
LogP0.86
Rot. Bonds3

About CID 89388008

CID 89388008 (PubChem CID 89388008) has the molecular formula C3H7OS7- and a molecular weight of 283.56 g/mol.

Molecular Properties

Compound NameCID 89388008
PubChem CID89388008
Molecular FormulaC3H7OS7-
Molecular Weight283.56 g/mol
Exact Mass282.85
IUPAC Name—
SMILESCCCO[S-](=S)=S(=S)=S(=S)=S
InChIInChI=1S/C3H7OS7/c1-2-3-4-9(5)11(8)10(6)7/h2-3H2,1H3/q-1
InChIKeyNFJKBBAMEAOARS-UHFFFAOYSA-N
XLogP0.86
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.56
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'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 89338306
CID 89338306
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 89388008?
The IUPAC name of CID 89388008 (CID 89388008) is not available.
What is the SMILES notation for CID 89388008?
The canonical SMILES for CID 89388008 is CCCO[S-](=S)=S(=S)=S(=S)=S.
What is the InChIKey of CID 89388008?
The InChIKey is NFJKBBAMEAOARS-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7OS7/c1-2-3-4-9(5)11(8)10(6)7/h2-3H2,1H3/q-1.
What are the key properties of CID 89388008?
CID 89388008 has a molecular weight of 283.56 g/mol, XLogP of 0.86, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89388008 is sourced from PubChem (CID 89388008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).