2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane

C7H14N2S2 — CID 88574591

IUPAC2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane
SMILESCC(C)SC(=[N+]=[N-])SC(C)C
InChIInChI=1S/C7H14N2S2/c1-5(2)10-7(9-8)11-6(3)4/h5-6H,1-4H3
InChIKeyCGMVHLUAJWJLBW-UHFFFAOYSA-N
MW190.34 g/mol
LogP2.86
Rot. Bonds2

About 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane

2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane (PubChem CID 88574591) has the molecular formula C7H14N2S2 and a molecular weight of 190.34 g/mol. Its IUPAC name is 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane.

Molecular Properties

Compound Name2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane
PubChem CID88574591
Molecular FormulaC7H14N2S2
Molecular Weight190.34 g/mol
Exact Mass190.06
IUPAC Name2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane
SMILESCC(C)SC(=[N+]=[N-])SC(C)C
InChIInChI=1S/C7H14N2S2/c1-5(2)10-7(9-8)11-6(3)4/h5-6H,1-4H3
InChIKeyCGMVHLUAJWJLBW-UHFFFAOYSA-N
XLogP2.86
TPSA36.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.34
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane?
The IUPAC name of 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane (CID 88574591) is 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane.
What is the SMILES notation for 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane?
The canonical SMILES for 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane is CC(C)SC(=[N+]=[N-])SC(C)C.
What is the InChIKey of 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane?
The InChIKey is CGMVHLUAJWJLBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N2S2/c1-5(2)10-7(9-8)11-6(3)4/h5-6H,1-4H3.
What are the key properties of 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane?
2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane has a molecular weight of 190.34 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[diazo(propan-2-ylsulfanyl)methyl]sulfanylpropane is sourced from PubChem (CID 88574591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).