trimethyl(1,3-oxazol-2-yl)-λ4-sulfane

C6H11NOS — CID 90872919

IUPACtrimethyl(1,3-oxazol-2-yl)-λ4-sulfane
SMILESCS(C)(C)c1ncco1
InChIInChI=1S/C6H11NOS/c1-9(2,3)6-7-4-5-8-6/h4-5H,1-3H3
InChIKeyJPWIHRFTZCNOKI-UHFFFAOYSA-N
MW145.23 g/mol
LogP1.73
Rot. Bonds1

About trimethyl(1,3-oxazol-2-yl)-λ4-sulfane

trimethyl(1,3-oxazol-2-yl)-λ4-sulfane (PubChem CID 90872919) has the molecular formula C6H11NOS and a molecular weight of 145.23 g/mol. Its IUPAC name is trimethyl(1,3-oxazol-2-yl)-λ4-sulfane.

Molecular Properties

Compound Nametrimethyl(1,3-oxazol-2-yl)-λ4-sulfane
PubChem CID90872919
Molecular FormulaC6H11NOS
Molecular Weight145.23 g/mol
Exact Mass145.06
IUPAC Nametrimethyl(1,3-oxazol-2-yl)-λ4-sulfane
SMILESCS(C)(C)c1ncco1
InChIInChI=1S/C6H11NOS/c1-9(2,3)6-7-4-5-8-6/h4-5H,1-3H3
InChIKeyJPWIHRFTZCNOKI-UHFFFAOYSA-N
XLogP1.73
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.23
LogP ≤ 51.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-oxazole-2-sulfonamide
CID 54424983
benzene;1,3-oxazole-2-sulfonic acid
CID 175144268
2-pyridin-2-ylsulfonyl-1,3-oxazole
CID 175524122
2-methyliodanuidyl-1,3-oxazole
CID 147833148
2-(dideuteriomethyl)-1,3-oxazole
CID 167525558
2-[2-(1,3-oxazol-2-yl)ethynyl]-1,3-oxazole
CID 90278010
ethane;2-propan-2-yl-1,3-oxazole
CID 143094389
2-[(1R)-1-iodoethyl]-1,3-oxazole
CID 149131745
1-(1,3-oxazol-2-yl)ethanethiol
CID 142401633
(1S)-1-(1,3-oxazol-2-yl)ethanamine
CID 28924825
2-(1,1-diiodoethyl)-1,3-oxazole
CID 142182148
2-(1-imidazol-1-ylethyl)-1,3-oxazole
CID 174586320

Frequently Asked Questions

What is the IUPAC name of trimethyl(1,3-oxazol-2-yl)-λ4-sulfane?
The IUPAC name of trimethyl(1,3-oxazol-2-yl)-λ4-sulfane (CID 90872919) is trimethyl(1,3-oxazol-2-yl)-λ4-sulfane.
What is the SMILES notation for trimethyl(1,3-oxazol-2-yl)-λ4-sulfane?
The canonical SMILES for trimethyl(1,3-oxazol-2-yl)-λ4-sulfane is CS(C)(C)c1ncco1.
What is the InChIKey of trimethyl(1,3-oxazol-2-yl)-λ4-sulfane?
The InChIKey is JPWIHRFTZCNOKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NOS/c1-9(2,3)6-7-4-5-8-6/h4-5H,1-3H3.
What are the key properties of trimethyl(1,3-oxazol-2-yl)-λ4-sulfane?
trimethyl(1,3-oxazol-2-yl)-λ4-sulfane has a molecular weight of 145.23 g/mol, XLogP of 1.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl(1,3-oxazol-2-yl)-λ4-sulfane is sourced from PubChem (CID 90872919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).