2-[(E)-2-nitrosoethenyl]thiophene

C6H5NOS — CID 89295515

IUPAC2-[(E)-2-nitrosoethenyl]thiophene
SMILESO=N/C=C/c1cccs1
InChIInChI=1S/C6H5NOS/c8-7-4-3-6-2-1-5-9-6/h1-5H/b4-3+
InChIKeySLKTUEQGANLXDH-ONEGZZNKSA-N
MW139.18 g/mol
LogP2.49
Rot. Bonds2

About 2-[(E)-2-nitrosoethenyl]thiophene

2-[(E)-2-nitrosoethenyl]thiophene (PubChem CID 89295515) has the molecular formula C6H5NOS and a molecular weight of 139.18 g/mol. Its IUPAC name is 2-[(E)-2-nitrosoethenyl]thiophene.

Molecular Properties

Compound Name2-[(E)-2-nitrosoethenyl]thiophene
PubChem CID89295515
Molecular FormulaC6H5NOS
Molecular Weight139.18 g/mol
Exact Mass139.01
IUPAC Name2-[(E)-2-nitrosoethenyl]thiophene
SMILESO=N/C=C/c1cccs1
InChIInChI=1S/C6H5NOS/c8-7-4-3-6-2-1-5-9-6/h1-5H/b4-3+
InChIKeySLKTUEQGANLXDH-ONEGZZNKSA-N
XLogP2.49
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.18
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-nitrosoethenyl]thiophene?
The IUPAC name of 2-[(E)-2-nitrosoethenyl]thiophene (CID 89295515) is 2-[(E)-2-nitrosoethenyl]thiophene.
What is the SMILES notation for 2-[(E)-2-nitrosoethenyl]thiophene?
The canonical SMILES for 2-[(E)-2-nitrosoethenyl]thiophene is O=N/C=C/c1cccs1.
What is the InChIKey of 2-[(E)-2-nitrosoethenyl]thiophene?
The InChIKey is SLKTUEQGANLXDH-ONEGZZNKSA-N. The full InChI is InChI=1S/C6H5NOS/c8-7-4-3-6-2-1-5-9-6/h1-5H/b4-3+.
What are the key properties of 2-[(E)-2-nitrosoethenyl]thiophene?
2-[(E)-2-nitrosoethenyl]thiophene has a molecular weight of 139.18 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-nitrosoethenyl]thiophene is sourced from PubChem (CID 89295515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).