[(2R)-2-(methyldisulfanyl)propyl] deuterioformate

C5H10O2S2 — CID 158623757

IUPAC[(2R)-2-(methyldisulfanyl)propyl] deuterioformate
SMILES[2H]C(=O)OC[C@@H](C)SSC
InChIInChI=1S/C5H10O2S2/c1-5(9-8-2)3-7-4-6/h4-5H,3H2,1-2H3/t5-/m1/s1/i4D
InChIKeyHYIDEZMJIJZMFS-PYEXUNQSSA-N
MW167.27 g/mol
LogP1.56
Rot. Bonds4

About [(2R)-2-(methyldisulfanyl)propyl] deuterioformate

[(2R)-2-(methyldisulfanyl)propyl] deuterioformate (PubChem CID 158623757) has the molecular formula C5H10O2S2 and a molecular weight of 167.27 g/mol. Its IUPAC name is [(2R)-2-(methyldisulfanyl)propyl] deuterioformate.

Molecular Properties

Compound Name[(2R)-2-(methyldisulfanyl)propyl] deuterioformate
PubChem CID158623757
Molecular FormulaC5H10O2S2
Molecular Weight167.27 g/mol
Exact Mass167.02
IUPAC Name[(2R)-2-(methyldisulfanyl)propyl] deuterioformate
SMILES[2H]C(=O)OC[C@@H](C)SSC
InChIInChI=1S/C5H10O2S2/c1-5(9-8-2)3-7-4-6/h4-5H,3H2,1-2H3/t5-/m1/s1/i4D
InChIKeyHYIDEZMJIJZMFS-PYEXUNQSSA-N
XLogP1.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.27
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(methyldisulfanyl)propyl] deuterioformate?
The IUPAC name of [(2R)-2-(methyldisulfanyl)propyl] deuterioformate (CID 158623757) is [(2R)-2-(methyldisulfanyl)propyl] deuterioformate.
What is the SMILES notation for [(2R)-2-(methyldisulfanyl)propyl] deuterioformate?
The canonical SMILES for [(2R)-2-(methyldisulfanyl)propyl] deuterioformate is [2H]C(=O)OC[C@@H](C)SSC.
What is the InChIKey of [(2R)-2-(methyldisulfanyl)propyl] deuterioformate?
The InChIKey is HYIDEZMJIJZMFS-PYEXUNQSSA-N. The full InChI is InChI=1S/C5H10O2S2/c1-5(9-8-2)3-7-4-6/h4-5H,3H2,1-2H3/t5-/m1/s1/i4D.
What are the key properties of [(2R)-2-(methyldisulfanyl)propyl] deuterioformate?
[(2R)-2-(methyldisulfanyl)propyl] deuterioformate has a molecular weight of 167.27 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(methyldisulfanyl)propyl] deuterioformate is sourced from PubChem (CID 158623757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).