CID 89328770

C3H7OS3- — CID 89328770

IUPAC—
SMILESCCCO[S-](=S)=S
InChIInChI=1S/C3H7OS3/c1-2-3-4-7(5)6/h2-3H2,1H3/q-1
InChIKeyFLLVMWMWNDIJLW-UHFFFAOYSA-N
MW155.29 g/mol
LogP0.87
Rot. Bonds3

About CID 89328770

CID 89328770 (PubChem CID 89328770) has the molecular formula C3H7OS3- and a molecular weight of 155.29 g/mol.

Molecular Properties

Compound NameCID 89328770
PubChem CID89328770
Molecular FormulaC3H7OS3-
Molecular Weight155.29 g/mol
Exact Mass154.97
IUPAC Name—
SMILESCCCO[S-](=S)=S
InChIInChI=1S/C3H7OS3/c1-2-3-4-7(5)6/h2-3H2,1H3/q-1
InChIKeyFLLVMWMWNDIJLW-UHFFFAOYSA-N
XLogP0.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.29
LogP ≤ 50.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 89328770?
The IUPAC name of CID 89328770 (CID 89328770) is not available.
What is the SMILES notation for CID 89328770?
The canonical SMILES for CID 89328770 is CCCO[S-](=S)=S.
What is the InChIKey of CID 89328770?
The InChIKey is FLLVMWMWNDIJLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7OS3/c1-2-3-4-7(5)6/h2-3H2,1H3/q-1.
What are the key properties of CID 89328770?
CID 89328770 has a molecular weight of 155.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89328770 is sourced from PubChem (CID 89328770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).