2-deuteriosulfanyl-2-methylpropane

C4H10S — CID 15557889

IUPAC2-deuteriosulfanyl-2-methylpropane
SMILES[2H]SC(C)(C)C
InChIInChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3/i/hD
InChIKeyWMXCDAVJEZZYLT-DYCDLGHISA-N
MW91.20 g/mol
LogP1.71
Rot. Bonds

About 2-deuteriosulfanyl-2-methylpropane

2-deuteriosulfanyl-2-methylpropane (PubChem CID 15557889) has the molecular formula C4H10S and a molecular weight of 91.20 g/mol. Its IUPAC name is 2-deuteriosulfanyl-2-methylpropane.

Molecular Properties

Compound Name2-deuteriosulfanyl-2-methylpropane
PubChem CID15557889
Molecular FormulaC4H10S
Molecular Weight91.20 g/mol
Exact Mass91.06
IUPAC Name2-deuteriosulfanyl-2-methylpropane
SMILES[2H]SC(C)(C)C
InChIInChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3/i/hD
InChIKeyWMXCDAVJEZZYLT-DYCDLGHISA-N
XLogP1.71
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50091.20
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

azane;2-methylpropane-2-thiol
CID 87874435
zinc;carbanide;2-methylpropane-2-thiol
CID 23299034
CID 142215030
CID 142215030
2-methylpropane-2-thiol;propan-2-imine
CID 164871424
1,1-dichloro-1-sulfanyloxyethane
CID 21115275
CID 88634394
CID 88634394
CID 142313282
CID 142313282
CID 174141656
CID 174141656
carbonochloridic acid;2-methylpropane-2-thiol
CID 21421000
tert-butyloxidanium
CID 59258481
2,2-dimethylpropane;trihydrate
CID 172866132
chloromethane;2,2-dimethylpropane
CID 142899692

Frequently Asked Questions

What is the IUPAC name of 2-deuteriosulfanyl-2-methylpropane?
The IUPAC name of 2-deuteriosulfanyl-2-methylpropane (CID 15557889) is 2-deuteriosulfanyl-2-methylpropane.
What is the SMILES notation for 2-deuteriosulfanyl-2-methylpropane?
The canonical SMILES for 2-deuteriosulfanyl-2-methylpropane is [2H]SC(C)(C)C.
What is the InChIKey of 2-deuteriosulfanyl-2-methylpropane?
The InChIKey is WMXCDAVJEZZYLT-DYCDLGHISA-N. The full InChI is InChI=1S/C4H10S/c1-4(2,3)5/h5H,1-3H3/i/hD.
What are the key properties of 2-deuteriosulfanyl-2-methylpropane?
2-deuteriosulfanyl-2-methylpropane has a molecular weight of 91.20 g/mol, XLogP of 1.71, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-deuteriosulfanyl-2-methylpropane is sourced from PubChem (CID 15557889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).