1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane

C10H20OS2 — CID 11903759

IUPAC1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane
SMILESCCCC[S@](=O)/C=C/SC(C)(C)C
InChIInChI=1S/C10H20OS2/c1-5-6-8-13(11)9-7-12-10(2,3)4/h7,9H,5-6,8H2,1-4H3/b9-7+/t13-/m0/s1
InChIKeyHWKYEGRUWPUZBC-XOVSCCBYSA-N
MW220.40 g/mol
LogP3.54
Rot. Bonds5

About 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane

1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane (PubChem CID 11903759) has the molecular formula C10H20OS2 and a molecular weight of 220.40 g/mol. Its IUPAC name is 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane.

Molecular Properties

Compound Name1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane
PubChem CID11903759
Molecular FormulaC10H20OS2
Molecular Weight220.40 g/mol
Exact Mass220.10
IUPAC Name1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane
SMILESCCCC[S@](=O)/C=C/SC(C)(C)C
InChIInChI=1S/C10H20OS2/c1-5-6-8-13(11)9-7-12-10(2,3)4/h7,9H,5-6,8H2,1-4H3/b9-7+/t13-/m0/s1
InChIKeyHWKYEGRUWPUZBC-XOVSCCBYSA-N
XLogP3.54
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.40
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane?
The IUPAC name of 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane (CID 11903759) is 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane.
What is the SMILES notation for 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane?
The canonical SMILES for 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane is CCCC[S@](=O)/C=C/SC(C)(C)C.
What is the InChIKey of 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane?
The InChIKey is HWKYEGRUWPUZBC-XOVSCCBYSA-N. The full InChI is InChI=1S/C10H20OS2/c1-5-6-8-13(11)9-7-12-10(2,3)4/h7,9H,5-6,8H2,1-4H3/b9-7+/t13-/m0/s1.
What are the key properties of 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane?
1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane has a molecular weight of 220.40 g/mol, XLogP of 3.54, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(S)-[(E)-2-tert-butylsulfanylethenyl]sulfinyl]butane is sourced from PubChem (CID 11903759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).