CID 89316010

C2H5OS3- — CID 89316010

IUPAC—
SMILESCCO[S-](=S)=S
InChIInChI=1S/C2H5OS3/c1-2-3-6(4)5/h2H2,1H3/q-1
InChIKeyKVZDUHNCTCDDHS-UHFFFAOYSA-N
MW141.26 g/mol
LogP0.48
Rot. Bonds2

About CID 89316010

CID 89316010 (PubChem CID 89316010) has the molecular formula C2H5OS3- and a molecular weight of 141.26 g/mol.

Molecular Properties

Compound NameCID 89316010
PubChem CID89316010
Molecular FormulaC2H5OS3-
Molecular Weight141.26 g/mol
Exact Mass140.95
IUPAC Name—
SMILESCCO[S-](=S)=S
InChIInChI=1S/C2H5OS3/c1-2-3-6(4)5/h2H2,1H3/q-1
InChIKeyKVZDUHNCTCDDHS-UHFFFAOYSA-N
XLogP0.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.26
LogP ≤ 50.48
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 89316010?
The IUPAC name of CID 89316010 (CID 89316010) is not available.
What is the SMILES notation for CID 89316010?
The canonical SMILES for CID 89316010 is CCO[S-](=S)=S.
What is the InChIKey of CID 89316010?
The InChIKey is KVZDUHNCTCDDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H5OS3/c1-2-3-6(4)5/h2H2,1H3/q-1.
What are the key properties of CID 89316010?
CID 89316010 has a molecular weight of 141.26 g/mol, XLogP of 0.48, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89316010 is sourced from PubChem (CID 89316010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).