2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol

C7H11NOS — CID 25219629

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol
SMILESCc1noc(C)c1CCS
InChIInChI=1S/C7H11NOS/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3
InChIKeyYCAOLMCCUVXXJA-UHFFFAOYSA-N
MW157.24 g/mol
LogP1.76
Rot. Bonds2

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol

2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol (PubChem CID 25219629) has the molecular formula C7H11NOS and a molecular weight of 157.24 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol
PubChem CID25219629
Molecular FormulaC7H11NOS
Molecular Weight157.24 g/mol
Exact Mass157.06
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol
SMILESCc1noc(C)c1CCS
InChIInChI=1S/C7H11NOS/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3
InChIKeyYCAOLMCCUVXXJA-UHFFFAOYSA-N
XLogP1.76
TPSA26.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.24
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

3,4,5-Trimethylisoxazole
CID 25375
4-Iodo-3,5-dimethyl-1,2-oxazole
CID 613883
Isoxazole, 4-(chloromethyl)-3,5-dimethyl-
CID 88246
3,5-Dimethyl-4-Isoxazolecarbaldehyde
CID 289576
2-{[(Dimethyl-1,2-oxazol-4-yl)methyl]sulfanyl}acetic acid
CID 2106598
4-Ethynyl-3,5-dimethyl-1,2-oxazole
CID 53426609
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl thiocyanate
CID 134132278
4-Ethenyl-3,5-dimethyl-1,2-oxazole
CID 910190
3,5-Dimethylisoxazole-4-carbonitrile
CID 2776140
(Dimethyl-1,2-oxazol-4-yl)methanamine
CID 11018874
2-(Dimethyl-1,2-oxazol-4-yl)acetonitrile
CID 13792858
(3,5-Dimethyl-1,2-oxazol-4-yl)methyl carbamimidoselenoate;hydrochloride
CID 127031360

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol (CID 25219629) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol is Cc1noc(C)c1CCS.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol?
The InChIKey is YCAOLMCCUVXXJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NOS/c1-5-7(3-4-10)6(2)9-8-5/h10H,3-4H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol?
2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol has a molecular weight of 157.24 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanethiol is sourced from PubChem (CID 25219629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).