CID 175237801

C12H14S4 — CID 175237801

IUPAC—
SMILESSS.Sc1ccccc1.Sc1ccccc1
InChIInChI=1S/2C6H6S.H2S2/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5,7H;1-2H
InChIKeyBQFMEFTUCRRZHZ-UHFFFAOYSA-N
MW286.51 g/mol
LogP4.71
Rot. Bonds

About CID 175237801

CID 175237801 (PubChem CID 175237801) has the molecular formula C12H14S4 and a molecular weight of 286.51 g/mol.

Molecular Properties

Compound NameCID 175237801
PubChem CID175237801
Molecular FormulaC12H14S4
Molecular Weight286.51 g/mol
Exact Mass286.00
IUPAC Name—
SMILESSS.Sc1ccccc1.Sc1ccccc1
InChIInChI=1S/2C6H6S.H2S2/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5,7H;1-2H
InChIKeyBQFMEFTUCRRZHZ-UHFFFAOYSA-N
XLogP4.71
TPSA0.00 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.51
LogP ≤ 54.71
H-Bond Donors ≤ 54
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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benzenethiol;dioxotitanium
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benzenethiol;chlorobenzene
CID 158473676
CID 118643196
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CID 172858912
CID 172858912
benzenethiol;butane;hydrate
CID 174869376

Frequently Asked Questions

What is the IUPAC name of CID 175237801?
The IUPAC name of CID 175237801 (CID 175237801) is not available.
What is the SMILES notation for CID 175237801?
The canonical SMILES for CID 175237801 is SS.Sc1ccccc1.Sc1ccccc1.
What is the InChIKey of CID 175237801?
The InChIKey is BQFMEFTUCRRZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H6S.H2S2/c2*7-6-4-2-1-3-5-6;1-2/h2*1-5,7H;1-2H.
What are the key properties of CID 175237801?
CID 175237801 has a molecular weight of 286.51 g/mol, XLogP of 4.71, 0 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 175237801 is sourced from PubChem (CID 175237801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).