1,3-oxazolidine-2-thiol

C3H7NOS — CID 21248213

IUPAC1,3-oxazolidine-2-thiol
SMILESSC1NCCO1
InChIInChI=1S/C3H7NOS/c6-3-4-1-2-5-3/h3-4,6H,1-2H2
InChIKeyKXDTYCGIFJZFNR-UHFFFAOYSA-N
MW105.16 g/mol
LogP-0.18
Rot. Bonds

About 1,3-oxazolidine-2-thiol

1,3-oxazolidine-2-thiol (PubChem CID 21248213) has the molecular formula C3H7NOS and a molecular weight of 105.16 g/mol. Its IUPAC name is 1,3-oxazolidine-2-thiol.

Molecular Properties

Compound Name1,3-oxazolidine-2-thiol
PubChem CID21248213
Molecular FormulaC3H7NOS
Molecular Weight105.16 g/mol
Exact Mass105.02
IUPAC Name1,3-oxazolidine-2-thiol
SMILESSC1NCCO1
InChIInChI=1S/C3H7NOS/c6-3-4-1-2-5-3/h3-4,6H,1-2H2
InChIKeyKXDTYCGIFJZFNR-UHFFFAOYSA-N
XLogP-0.18
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500105.16
LogP ≤ 5-0.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-Oxazolidine
CID 536683
2-Oxazolidinethione
CID 2733223
Oxazolidin-2-ylidene palladium
CID 129663046
2-Lithiooxazolidine
CID 129675664
2-Stannyloxazolidine
CID 129676006
2-Tritio-1,3-oxazolidine
CID 22789066
CID 57417161
CID 57417161
CID 57424323
CID 57424323
1,3-Oxazolidine-2-sulfinate
CID 66657154
CID 69853619
CID 69853619
Copper;1,3-oxazolidine
CID 69855462
1,3-Oxazolidine;palladium
CID 88334547

Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2-thiol?
The IUPAC name of 1,3-oxazolidine-2-thiol (CID 21248213) is 1,3-oxazolidine-2-thiol.
What is the SMILES notation for 1,3-oxazolidine-2-thiol?
The canonical SMILES for 1,3-oxazolidine-2-thiol is SC1NCCO1.
What is the InChIKey of 1,3-oxazolidine-2-thiol?
The InChIKey is KXDTYCGIFJZFNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7NOS/c6-3-4-1-2-5-3/h3-4,6H,1-2H2.
What are the key properties of 1,3-oxazolidine-2-thiol?
1,3-oxazolidine-2-thiol has a molecular weight of 105.16 g/mol, XLogP of -0.18, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2-thiol is sourced from PubChem (CID 21248213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).