2-(2-nitrosoethyl)thiophene

C6H7NOS — CID 54489290

IUPAC2-(2-nitrosoethyl)thiophene
SMILESO=NCCc1cccs1
InChIInChI=1S/C6H7NOS/c8-7-4-3-6-2-1-5-9-6/h1-2,5H,3-4H2
InChIKeyXUOWNXVLPOWKEK-UHFFFAOYSA-N
MW141.19 g/mol
LogP2.06
Rot. Bonds3

About 2-(2-nitrosoethyl)thiophene

2-(2-nitrosoethyl)thiophene (PubChem CID 54489290) has the molecular formula C6H7NOS and a molecular weight of 141.19 g/mol. Its IUPAC name is 2-(2-nitrosoethyl)thiophene.

Molecular Properties

Compound Name2-(2-nitrosoethyl)thiophene
PubChem CID54489290
Molecular FormulaC6H7NOS
Molecular Weight141.19 g/mol
Exact Mass141.02
IUPAC Name2-(2-nitrosoethyl)thiophene
SMILESO=NCCc1cccs1
InChIInChI=1S/C6H7NOS/c8-7-4-3-6-2-1-5-9-6/h1-2,5H,3-4H2
InChIKeyXUOWNXVLPOWKEK-UHFFFAOYSA-N
XLogP2.06
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.19
LogP ≤ 52.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrosoethyl)thiophene?
The IUPAC name of 2-(2-nitrosoethyl)thiophene (CID 54489290) is 2-(2-nitrosoethyl)thiophene.
What is the SMILES notation for 2-(2-nitrosoethyl)thiophene?
The canonical SMILES for 2-(2-nitrosoethyl)thiophene is O=NCCc1cccs1.
What is the InChIKey of 2-(2-nitrosoethyl)thiophene?
The InChIKey is XUOWNXVLPOWKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NOS/c8-7-4-3-6-2-1-5-9-6/h1-2,5H,3-4H2.
What are the key properties of 2-(2-nitrosoethyl)thiophene?
2-(2-nitrosoethyl)thiophene has a molecular weight of 141.19 g/mol, XLogP of 2.06, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrosoethyl)thiophene is sourced from PubChem (CID 54489290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).