trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane

C11H23NOS2 — CID 89375391

IUPACtrimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane
SMILESCc1coc(C(S(C)(C)C)S(C)(C)C)n1
InChIInChI=1S/C11H23NOS2/c1-9-8-13-10(12-9)11(14(2,3)4)15(5,6)7/h8,11H,1-7H3
InChIKeyZVRHKFYYVGAEAX-UHFFFAOYSA-N
MW249.44 g/mol
LogP3.37
Rot. Bonds3

About trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane

trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane (PubChem CID 89375391) has the molecular formula C11H23NOS2 and a molecular weight of 249.44 g/mol. Its IUPAC name is trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane
PubChem CID89375391
Molecular FormulaC11H23NOS2
Molecular Weight249.44 g/mol
Exact Mass249.12
IUPAC Nametrimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane
SMILESCc1coc(C(S(C)(C)C)S(C)(C)C)n1
InChIInChI=1S/C11H23NOS2/c1-9-8-13-10(12-9)11(14(2,3)4)15(5,6)7/h8,11H,1-7H3
InChIKeyZVRHKFYYVGAEAX-UHFFFAOYSA-N
XLogP3.37
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.44
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
The IUPAC name of trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane (CID 89375391) is trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane.
What is the SMILES notation for trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
The canonical SMILES for trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane is Cc1coc(C(S(C)(C)C)S(C)(C)C)n1.
What is the InChIKey of trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
The InChIKey is ZVRHKFYYVGAEAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23NOS2/c1-9-8-13-10(12-9)11(14(2,3)4)15(5,6)7/h8,11H,1-7H3.
What are the key properties of trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane?
trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane has a molecular weight of 249.44 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[(4-methyl-1,3-oxazol-2-yl)-(trimethyl-λ4-sulfanyl)methyl]-λ4-sulfane is sourced from PubChem (CID 89375391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).