1,3-oxazolidine-2-thiol;thiophene

C7H11NOS2 — CID 174796105

IUPAC1,3-oxazolidine-2-thiol;thiophene
SMILESSC1NCCO1.c1ccsc1
InChIInChI=1S/C4H4S.C3H7NOS/c1-2-4-5-3-1;6-3-4-1-2-5-3/h1-4H;3-4,6H,1-2H2
InChIKeyOMWCKSYZUNNQPY-UHFFFAOYSA-N
MW189.31 g/mol
LogP1.57
Rot. Bonds

About 1,3-oxazolidine-2-thiol;thiophene

1,3-oxazolidine-2-thiol;thiophene (PubChem CID 174796105) has the molecular formula C7H11NOS2 and a molecular weight of 189.31 g/mol. Its IUPAC name is 1,3-oxazolidine-2-thiol;thiophene.

Molecular Properties

Compound Name1,3-oxazolidine-2-thiol;thiophene
PubChem CID174796105
Molecular FormulaC7H11NOS2
Molecular Weight189.31 g/mol
Exact Mass189.03
IUPAC Name1,3-oxazolidine-2-thiol;thiophene
SMILESSC1NCCO1.c1ccsc1
InChIInChI=1S/C4H4S.C3H7NOS/c1-2-4-5-3-1;6-3-4-1-2-5-3/h1-4H;3-4,6H,1-2H2
InChIKeyOMWCKSYZUNNQPY-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,3-oxazolidine-2-thiol;thiophene?
The IUPAC name of 1,3-oxazolidine-2-thiol;thiophene (CID 174796105) is 1,3-oxazolidine-2-thiol;thiophene.
What is the SMILES notation for 1,3-oxazolidine-2-thiol;thiophene?
The canonical SMILES for 1,3-oxazolidine-2-thiol;thiophene is SC1NCCO1.c1ccsc1.
What is the InChIKey of 1,3-oxazolidine-2-thiol;thiophene?
The InChIKey is OMWCKSYZUNNQPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H4S.C3H7NOS/c1-2-4-5-3-1;6-3-4-1-2-5-3/h1-4H;3-4,6H,1-2H2.
What are the key properties of 1,3-oxazolidine-2-thiol;thiophene?
1,3-oxazolidine-2-thiol;thiophene has a molecular weight of 189.31 g/mol, XLogP of 1.57, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazolidine-2-thiol;thiophene is sourced from PubChem (CID 174796105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).