1H-pyrrole;thiophene

C12H13NS2 — CID 66584536

IUPAC1H-pyrrole;thiophene
SMILESc1cc[nH]c1.c1ccsc1.c1ccsc1
InChIInChI=1S/C4H5N.2C4H4S/c3*1-2-4-5-3-1/h1-5H;2*1-4H
InChIKeyCOBAWKLKIXVBOA-UHFFFAOYSA-N
MW235.38 g/mol
LogP4.51
Rot. Bonds

About 1H-pyrrole;thiophene

1H-pyrrole;thiophene (PubChem CID 66584536) has the molecular formula C12H13NS2 and a molecular weight of 235.38 g/mol. Its IUPAC name is 1H-pyrrole;thiophene.

Molecular Properties

Compound Name1H-pyrrole;thiophene
PubChem CID66584536
Molecular FormulaC12H13NS2
Molecular Weight235.38 g/mol
Exact Mass235.05
IUPAC Name1H-pyrrole;thiophene
SMILESc1cc[nH]c1.c1ccsc1.c1ccsc1
InChIInChI=1S/C4H5N.2C4H4S/c3*1-2-4-5-3-1/h1-5H;2*1-4H
InChIKeyCOBAWKLKIXVBOA-UHFFFAOYSA-N
XLogP4.51
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.38
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-pyrrole;thiophene?
The IUPAC name of 1H-pyrrole;thiophene (CID 66584536) is 1H-pyrrole;thiophene.
What is the SMILES notation for 1H-pyrrole;thiophene?
The canonical SMILES for 1H-pyrrole;thiophene is c1cc[nH]c1.c1ccsc1.c1ccsc1.
What is the InChIKey of 1H-pyrrole;thiophene?
The InChIKey is COBAWKLKIXVBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N.2C4H4S/c3*1-2-4-5-3-1/h1-5H;2*1-4H.
What are the key properties of 1H-pyrrole;thiophene?
1H-pyrrole;thiophene has a molecular weight of 235.38 g/mol, XLogP of 4.51, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-pyrrole;thiophene is sourced from PubChem (CID 66584536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).