6H-[1,4]oxathiino[2,3-c]pyrrole

C6H5NOS — CID 21438290

IUPAC6H-[1,4]oxathiino[2,3-c]pyrrole
SMILESC1=CSc2c[nH]cc2O1
InChIInChI=1S/C6H5NOS/c1-2-9-6-4-7-3-5(6)8-1/h1-4,7H
InChIKeyHDKFUIKSQDXSSV-UHFFFAOYSA-N
MW139.18 g/mol
LogP1.97
Rot. Bonds

About 6H-[1,4]oxathiino[2,3-c]pyrrole

6H-[1,4]oxathiino[2,3-c]pyrrole (PubChem CID 21438290) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is 6H-[1,4]oxathiino[2,3-c]pyrrole.

Molecular Properties

Compound Name6H-[1,4]oxathiino[2,3-c]pyrrole
PubChem CID21438290
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Name6H-[1,4]oxathiino[2,3-c]pyrrole
SMILESC1=CSc2c[nH]cc2O1
InChIInChI=1S/C6H5NOS/c1-2-9-6-4-7-3-5(6)8-1/h1-4,7H
InChIKeyHDKFUIKSQDXSSV-UHFFFAOYSA-N
XLogP1.97
TPSA25.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6H-[1,4]oxathiino[2,3-c]pyrrole?
The IUPAC name of 6H-[1,4]oxathiino[2,3-c]pyrrole (CID 21438290) is 6H-[1,4]oxathiino[2,3-c]pyrrole.
What is the SMILES notation for 6H-[1,4]oxathiino[2,3-c]pyrrole?
The canonical SMILES for 6H-[1,4]oxathiino[2,3-c]pyrrole is C1=CSc2c[nH]cc2O1.
What is the InChIKey of 6H-[1,4]oxathiino[2,3-c]pyrrole?
The InChIKey is HDKFUIKSQDXSSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NOS/c1-2-9-6-4-7-3-5(6)8-1/h1-4,7H.
What are the key properties of 6H-[1,4]oxathiino[2,3-c]pyrrole?
6H-[1,4]oxathiino[2,3-c]pyrrole has a molecular weight of 139.18 g/mol, XLogP of 1.97, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6H-[1,4]oxathiino[2,3-c]pyrrole is sourced from PubChem (CID 21438290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).