CID 172913565

C6H15NO2S2 — CID 172913565

IUPAC—
SMILESSCCOCCOCCS.[NH]
InChIInChI=1S/C6H14O2S2.HN/c9-5-3-7-1-2-8-4-6-10;/h9-10H,1-6H2;1H
InChIKeyWCLYGFFVJKRICE-UHFFFAOYSA-N
MW197.32 g/mol
LogP0.61
Rot. Bonds7

About CID 172913565

CID 172913565 (PubChem CID 172913565) has the molecular formula C6H15NO2S2 and a molecular weight of 197.32 g/mol.

Molecular Properties

Compound NameCID 172913565
PubChem CID172913565
Molecular FormulaC6H15NO2S2
Molecular Weight197.32 g/mol
Exact Mass197.05
IUPAC Name—
SMILESSCCOCCOCCS.[NH]
InChIInChI=1S/C6H14O2S2.HN/c9-5-3-7-1-2-8-4-6-10;/h9-10H,1-6H2;1H
InChIKeyWCLYGFFVJKRICE-UHFFFAOYSA-N
XLogP0.61
TPSA50.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2-sulfanylethoxy)ethoxy]ethanethiol
CID 159182397
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 86092592
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139253107
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-aminoethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 138393049
3-(2-sulfanylethoxy)propane-1-thiol
CID 56989833
3-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]propanal
CID 122674478
2-[2-[2-[2-[2-[2-[2-(methylamino)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanethiol
CID 59079398
3-[2-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanal
CID 142541939
3-[2-[2-[2-[2-[2-[2-(2-sulfanylethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]propanoic acid
CID 121233560
2-sulfanylacetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 174804995
acetic acid;2-(2-sulfanylethoxy)ethanethiol
CID 162307882
2-(2,2,2-trifluoroethoxy)ethanethiol
CID 61490314

Frequently Asked Questions

What is the IUPAC name of CID 172913565?
The IUPAC name of CID 172913565 (CID 172913565) is not available.
What is the SMILES notation for CID 172913565?
The canonical SMILES for CID 172913565 is SCCOCCOCCS.[NH].
What is the InChIKey of CID 172913565?
The InChIKey is WCLYGFFVJKRICE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14O2S2.HN/c9-5-3-7-1-2-8-4-6-10;/h9-10H,1-6H2;1H.
What are the key properties of CID 172913565?
CID 172913565 has a molecular weight of 197.32 g/mol, XLogP of 0.61, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172913565 is sourced from PubChem (CID 172913565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).