benzene;disulfanylmethane

C7H10S2 — CID 159920576

IUPACbenzene;disulfanylmethane
SMILESCSS.c1ccccc1
InChIInChI=1S/C6H6.CH4S2/c1-2-4-6-5-3-1;1-3-2/h1-6H;2H,1H3
InChIKeyNYIPAELCBZOZBY-UHFFFAOYSA-N
MW158.29 g/mol
LogP2.88
Rot. Bonds

About benzene;disulfanylmethane

benzene;disulfanylmethane (PubChem CID 159920576) has the molecular formula C7H10S2 and a molecular weight of 158.29 g/mol. Its IUPAC name is benzene;disulfanylmethane.

Molecular Properties

Compound Namebenzene;disulfanylmethane
PubChem CID159920576
Molecular FormulaC7H10S2
Molecular Weight158.29 g/mol
Exact Mass158.02
IUPAC Namebenzene;disulfanylmethane
SMILESCSS.c1ccccc1
InChIInChI=1S/C6H6.CH4S2/c1-2-4-6-5-3-1;1-3-2/h1-6H;2H,1H3
InChIKeyNYIPAELCBZOZBY-UHFFFAOYSA-N
XLogP2.88
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.29
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of benzene;disulfanylmethane?
The IUPAC name of benzene;disulfanylmethane (CID 159920576) is benzene;disulfanylmethane.
What is the SMILES notation for benzene;disulfanylmethane?
The canonical SMILES for benzene;disulfanylmethane is CSS.c1ccccc1.
What is the InChIKey of benzene;disulfanylmethane?
The InChIKey is NYIPAELCBZOZBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6.CH4S2/c1-2-4-6-5-3-1;1-3-2/h1-6H;2H,1H3.
What are the key properties of benzene;disulfanylmethane?
benzene;disulfanylmethane has a molecular weight of 158.29 g/mol, XLogP of 2.88, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzene;disulfanylmethane is sourced from PubChem (CID 159920576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).