CID 140654775

CH3O3S2 — CID 140654775

IUPAC—
SMILESCSS([O])(=O)=O
InChIInChI=1S/CH3O3S2/c1-5-6(2,3)4/h1H3
InChIKeyLCNNHHJFASXUPG-UHFFFAOYSA-N
MW127.17 g/mol
LogP0.02
Rot. Bonds1

About CID 140654775

CID 140654775 (PubChem CID 140654775) has the molecular formula CH3O3S2 and a molecular weight of 127.17 g/mol.

Molecular Properties

Compound NameCID 140654775
PubChem CID140654775
Molecular FormulaCH3O3S2
Molecular Weight127.17 g/mol
Exact Mass126.95
IUPAC Name—
SMILESCSS([O])(=O)=O
InChIInChI=1S/CH3O3S2/c1-5-6(2,3)4/h1H3
InChIKeyLCNNHHJFASXUPG-UHFFFAOYSA-N
XLogP0.02
TPSA54.04 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 50.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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1,3-dichloro-5-methylsulfanylsulfonylbenzene
CID 163954802
hydroxy-methylsulfanyl-bis(sulfanylidene)-λ6-sulfane
CID 90454313
disulfanylmethane;trifluoromethanesulfonic acid
CID 171924126
sodium methylsulfanyl sulfate
CID 87172296
methyl-dimethylidene-methylsulfanyl-λ6-sulfane;(methyldisulfanyl)methane
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Frequently Asked Questions

What is the IUPAC name of CID 140654775?
The IUPAC name of CID 140654775 (CID 140654775) is not available.
What is the SMILES notation for CID 140654775?
The canonical SMILES for CID 140654775 is CSS([O])(=O)=O.
What is the InChIKey of CID 140654775?
The InChIKey is LCNNHHJFASXUPG-UHFFFAOYSA-N. The full InChI is InChI=1S/CH3O3S2/c1-5-6(2,3)4/h1H3.
What are the key properties of CID 140654775?
CID 140654775 has a molecular weight of 127.17 g/mol, XLogP of 0.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 140654775 is sourced from PubChem (CID 140654775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).