ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane

C6H16S2 — CID 155261283

IUPACethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane
SMILESCCS(C)(S)C(C)C
InChIInChI=1S/C6H16S2/c1-5-8(4,7)6(2)3/h6-7H,5H2,1-4H3
InChIKeyOCXMJIPEDZLSHS-UHFFFAOYSA-N
MW152.33 g/mol
LogP2.69
Rot. Bonds2

About ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane

ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane (PubChem CID 155261283) has the molecular formula C6H16S2 and a molecular weight of 152.33 g/mol. Its IUPAC name is ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane.

Molecular Properties

Compound Nameethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane
PubChem CID155261283
Molecular FormulaC6H16S2
Molecular Weight152.33 g/mol
Exact Mass152.07
IUPAC Nameethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane
SMILESCCS(C)(S)C(C)C
InChIInChI=1S/C6H16S2/c1-5-8(4,7)6(2)3/h6-7H,5H2,1-4H3
InChIKeyOCXMJIPEDZLSHS-UHFFFAOYSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.33
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane?
The IUPAC name of ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane (CID 155261283) is ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane.
What is the SMILES notation for ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane?
The canonical SMILES for ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane is CCS(C)(S)C(C)C.
What is the InChIKey of ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane?
The InChIKey is OCXMJIPEDZLSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H16S2/c1-5-8(4,7)6(2)3/h6-7H,5H2,1-4H3.
What are the key properties of ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane?
ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane has a molecular weight of 152.33 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl-methyl-propan-2-yl-sulfanyl-λ4-sulfane is sourced from PubChem (CID 155261283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).