1,2-oxazole;1,3-oxazole;sulfane

C6H8N2O2S — CID 174951280

IUPAC1,2-oxazole;1,3-oxazole;sulfane
SMILESS.c1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO.H2S/c1-2-5-3-4-1;1-2-4-5-3-1;/h2*1-3H;1H2
InChIKeyORNCLMVEPMGWHU-UHFFFAOYSA-N
MW172.21 g/mol
LogP1.46
Rot. Bonds

About 1,2-oxazole;1,3-oxazole;sulfane

1,2-oxazole;1,3-oxazole;sulfane (PubChem CID 174951280) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 1,2-oxazole;1,3-oxazole;sulfane.

Molecular Properties

Compound Name1,2-oxazole;1,3-oxazole;sulfane
PubChem CID174951280
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name1,2-oxazole;1,3-oxazole;sulfane
SMILESS.c1cnoc1.c1cocn1
InChIInChI=1S/2C3H3NO.H2S/c1-2-5-3-4-1;1-2-4-5-3-1;/h2*1-3H;1H2
InChIKeyORNCLMVEPMGWHU-UHFFFAOYSA-N
XLogP1.46
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1,2-oxazole;1,3-oxazole;sulfane?
The IUPAC name of 1,2-oxazole;1,3-oxazole;sulfane (CID 174951280) is 1,2-oxazole;1,3-oxazole;sulfane.
What is the SMILES notation for 1,2-oxazole;1,3-oxazole;sulfane?
The canonical SMILES for 1,2-oxazole;1,3-oxazole;sulfane is S.c1cnoc1.c1cocn1.
What is the InChIKey of 1,2-oxazole;1,3-oxazole;sulfane?
The InChIKey is ORNCLMVEPMGWHU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C3H3NO.H2S/c1-2-5-3-4-1;1-2-4-5-3-1;/h2*1-3H;1H2.
What are the key properties of 1,2-oxazole;1,3-oxazole;sulfane?
1,2-oxazole;1,3-oxazole;sulfane has a molecular weight of 172.21 g/mol, XLogP of 1.46, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-oxazole;1,3-oxazole;sulfane is sourced from PubChem (CID 174951280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).