bis(dithiirane);methane

C3H8S4 — CID 161270968

IUPACbis(dithiirane);methane
SMILESC.C1SS1.C1SS1
InChIInChI=1S/2CH2S2.CH4/c2*1-2-3-1;/h2*1H2;1H4
InChIKeyVDUQVKZXCXRWBM-UHFFFAOYSA-N
MW172.36 g/mol
LogP3.31
Rot. Bonds

About bis(dithiirane);methane

bis(dithiirane);methane (PubChem CID 161270968) has the molecular formula C3H8S4 and a molecular weight of 172.36 g/mol. Its IUPAC name is bis(dithiirane);methane.

Molecular Properties

Compound Namebis(dithiirane);methane
PubChem CID161270968
Molecular FormulaC3H8S4
Molecular Weight172.36 g/mol
Exact Mass171.95
IUPAC Namebis(dithiirane);methane
SMILESC.C1SS1.C1SS1
InChIInChI=1S/2CH2S2.CH4/c2*1-2-3-1;/h2*1H2;1H4
InChIKeyVDUQVKZXCXRWBM-UHFFFAOYSA-N
XLogP3.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.36
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

dithiirane;methane
CID 159905497
dithiirane;ethane
CID 161173072
dithiirane;propan-2-one
CID 91573911
1,2,4-trithiane
CID 14243801
CID 88716681
CID 88716681
tetrathiane
CID 593529
1,3-dichloropropan-2-one;1,3-dithian-5-one;dithiirane
CID 161330228
cyclobutane;methane
CID 159348077
methane
CID 169425837
nonakis(cyclohexane);methane
CID 159769101
cyclobutane;methane
CID 158205110
cycloheptane;methane
CID 160881115

Frequently Asked Questions

What is the IUPAC name of bis(dithiirane);methane?
The IUPAC name of bis(dithiirane);methane (CID 161270968) is bis(dithiirane);methane.
What is the SMILES notation for bis(dithiirane);methane?
The canonical SMILES for bis(dithiirane);methane is C.C1SS1.C1SS1.
What is the InChIKey of bis(dithiirane);methane?
The InChIKey is VDUQVKZXCXRWBM-UHFFFAOYSA-N. The full InChI is InChI=1S/2CH2S2.CH4/c2*1-2-3-1;/h2*1H2;1H4.
What are the key properties of bis(dithiirane);methane?
bis(dithiirane);methane has a molecular weight of 172.36 g/mol, XLogP of 3.31, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for bis(dithiirane);methane is sourced from PubChem (CID 161270968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).