CID 168919655

C7H14O2S2 — CID 168919655

IUPAC—
SMILESCC(=O)C1CCCCO1.SS
InChIInChI=1S/C7H12O2.H2S2/c1-6(8)7-4-2-3-5-9-7;1-2/h7H,2-5H2,1H3;1-2H
InChIKeyAPBJDRZJCMFLSF-UHFFFAOYSA-N
MW194.32 g/mol
LogP1.91
Rot. Bonds1

About CID 168919655

CID 168919655 (PubChem CID 168919655) has the molecular formula C7H14O2S2 and a molecular weight of 194.32 g/mol.

Molecular Properties

Compound NameCID 168919655
PubChem CID168919655
Molecular FormulaC7H14O2S2
Molecular Weight194.32 g/mol
Exact Mass194.04
IUPAC Name—
SMILESCC(=O)C1CCCCO1.SS
InChIInChI=1S/C7H12O2.H2S2/c1-6(8)7-4-2-3-5-9-7;1-2/h7H,2-5H2,1H3;1-2H
InChIKeyAPBJDRZJCMFLSF-UHFFFAOYSA-N
XLogP1.91
TPSA26.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.32
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'disulphide', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

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benzene;oxane-2-carboxamide
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2-cyclopentyl-1-(oxan-2-yl)ethanone
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N-(2-methylcyclopropyl)oxane-2-carboxamide
CID 131084366
(4-methylpiperazin-1-yl)-(oxan-2-yl)methanone
CID 64593251
2,2-dimethylpropanoyl oxane-2-carboxylate
CID 175186788
1-(oxan-2-yl)nonan-1-one
CID 114966896
2-cyclobutyl-1-(oxan-2-yl)ethanone
CID 114974038
azepan-1-yl(oxan-2-yl)methanone
CID 64592467
methylcyclopentane;oxolane-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of CID 168919655?
The IUPAC name of CID 168919655 (CID 168919655) is not available.
What is the SMILES notation for CID 168919655?
The canonical SMILES for CID 168919655 is CC(=O)C1CCCCO1.SS.
What is the InChIKey of CID 168919655?
The InChIKey is APBJDRZJCMFLSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O2.H2S2/c1-6(8)7-4-2-3-5-9-7;1-2/h7H,2-5H2,1H3;1-2H.
What are the key properties of CID 168919655?
CID 168919655 has a molecular weight of 194.32 g/mol, XLogP of 1.91, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 168919655 is sourced from PubChem (CID 168919655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).