CID 126604063

CH3OS4- — CID 126604063

IUPAC—
SMILESCOS[S-](=S)=S
InChIInChI=1S/CH3OS4/c1-2-5-6(3)4/h1H3/q-1
InChIKeyNNRPEUZVXHEOIQ-UHFFFAOYSA-N
MW159.30 g/mol
LogP0.74
Rot. Bonds2

About CID 126604063

CID 126604063 (PubChem CID 126604063) has the molecular formula CH3OS4- and a molecular weight of 159.30 g/mol.

Molecular Properties

Compound NameCID 126604063
PubChem CID126604063
Molecular FormulaCH3OS4-
Molecular Weight159.30 g/mol
Exact Mass158.91
IUPAC Name—
SMILESCOS[S-](=S)=S
InChIInChI=1S/CH3OS4/c1-2-5-6(3)4/h1H3/q-1
InChIKeyNNRPEUZVXHEOIQ-UHFFFAOYSA-N
XLogP0.74
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500159.30
LogP ≤ 50.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 126604063?
The IUPAC name of CID 126604063 (CID 126604063) is not available.
What is the SMILES notation for CID 126604063?
The canonical SMILES for CID 126604063 is COS[S-](=S)=S.
What is the InChIKey of CID 126604063?
The InChIKey is NNRPEUZVXHEOIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3OS4/c1-2-5-6(3)4/h1H3/q-1.
What are the key properties of CID 126604063?
CID 126604063 has a molecular weight of 159.30 g/mol, XLogP of 0.74, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 126604063 is sourced from PubChem (CID 126604063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).