trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane

C7H14S2 — CID 134929754

IUPACtrans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane
SMILESCSC1(SC)[C@@H](C)[C@@H]1C
InChIInChI=1S/C7H14S2/c1-5-6(2)7(5,8-3)9-4/h5-6H,1-4H3/t5-,6-/m0/s1
InChIKeyOOEMNMXWNBEXSK-WDSKDSINSA-N
MW162.32 g/mol
LogP2.69
Rot. Bonds2

About trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane

trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane (PubChem CID 134929754) has the molecular formula C7H14S2 and a molecular weight of 162.32 g/mol. Its IUPAC name is trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane.

Molecular Properties

Compound Nametrans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane
PubChem CID134929754
Molecular FormulaC7H14S2
Molecular Weight162.32 g/mol
Exact Mass162.05
IUPAC Nametrans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane
SMILESCSC1(SC)[C@@H](C)[C@@H]1C
InChIInChI=1S/C7H14S2/c1-5-6(2)7(5,8-3)9-4/h5-6H,1-4H3/t5-,6-/m0/s1
InChIKeyOOEMNMXWNBEXSK-WDSKDSINSA-N
XLogP2.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.32
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane?
The IUPAC name of trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane (CID 134929754) is trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane.
What is the SMILES notation for trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane?
The canonical SMILES for trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane is CSC1(SC)[C@@H](C)[C@@H]1C.
What is the InChIKey of trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane?
The InChIKey is OOEMNMXWNBEXSK-WDSKDSINSA-N. The full InChI is InChI=1S/C7H14S2/c1-5-6(2)7(5,8-3)9-4/h5-6H,1-4H3/t5-,6-/m0/s1.
What are the key properties of trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane?
trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane has a molecular weight of 162.32 g/mol, XLogP of 2.69, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(2S,3S)-2,3-dimethyl-1,1-bis(methylsulfanyl)cyclopropane is sourced from PubChem (CID 134929754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).