2-chloro-4-(nitrosomethyl)thiophene

C5H4ClNOS — CID 88926888

IUPAC2-chloro-4-(nitrosomethyl)thiophene
SMILESO=NCc1csc(Cl)c1
InChIInChI=1S/C5H4ClNOS/c6-5-1-4(2-7-8)3-9-5/h1,3H,2H2
InChIKeyIKZGIYOPPTVNSS-UHFFFAOYSA-N
MW161.61 g/mol
LogP2.67
Rot. Bonds2

About 2-chloro-4-(nitrosomethyl)thiophene

2-chloro-4-(nitrosomethyl)thiophene (PubChem CID 88926888) has the molecular formula C5H4ClNOS and a molecular weight of 161.61 g/mol. Its IUPAC name is 2-chloro-4-(nitrosomethyl)thiophene.

Molecular Properties

Compound Name2-chloro-4-(nitrosomethyl)thiophene
PubChem CID88926888
Molecular FormulaC5H4ClNOS
Molecular Weight161.61 g/mol
Exact Mass160.97
IUPAC Name2-chloro-4-(nitrosomethyl)thiophene
SMILESO=NCc1csc(Cl)c1
InChIInChI=1S/C5H4ClNOS/c6-5-1-4(2-7-8)3-9-5/h1,3H,2H2
InChIKeyIKZGIYOPPTVNSS-UHFFFAOYSA-N
XLogP2.67
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.61
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(nitrosomethyl)thiophene?
The IUPAC name of 2-chloro-4-(nitrosomethyl)thiophene (CID 88926888) is 2-chloro-4-(nitrosomethyl)thiophene.
What is the SMILES notation for 2-chloro-4-(nitrosomethyl)thiophene?
The canonical SMILES for 2-chloro-4-(nitrosomethyl)thiophene is O=NCc1csc(Cl)c1.
What is the InChIKey of 2-chloro-4-(nitrosomethyl)thiophene?
The InChIKey is IKZGIYOPPTVNSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4ClNOS/c6-5-1-4(2-7-8)3-9-5/h1,3H,2H2.
What are the key properties of 2-chloro-4-(nitrosomethyl)thiophene?
2-chloro-4-(nitrosomethyl)thiophene has a molecular weight of 161.61 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(nitrosomethyl)thiophene is sourced from PubChem (CID 88926888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).