2-methyl-5-nitrosothiophene

C5H5NOS — CID 89250838

IUPAC2-methyl-5-nitrosothiophene
SMILESCc1ccc(N=O)s1
InChIInChI=1S/C5H5NOS/c1-4-2-3-5(6-7)8-4/h2-3H,1H3
InChIKeyGZMXHXXRNQHISB-UHFFFAOYSA-N
MW127.17 g/mol
LogP2.45
Rot. Bonds1

About 2-methyl-5-nitrosothiophene

2-methyl-5-nitrosothiophene (PubChem CID 89250838) has the molecular formula C5H5NOS and a molecular weight of 127.17 g/mol. Its IUPAC name is 2-methyl-5-nitrosothiophene.

Molecular Properties

Compound Name2-methyl-5-nitrosothiophene
PubChem CID89250838
Molecular FormulaC5H5NOS
Molecular Weight127.17 g/mol
Exact Mass127.01
IUPAC Name2-methyl-5-nitrosothiophene
SMILESCc1ccc(N=O)s1
InChIInChI=1S/C5H5NOS/c1-4-2-3-5(6-7)8-4/h2-3H,1H3
InChIKeyGZMXHXXRNQHISB-UHFFFAOYSA-N
XLogP2.45
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.17
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(E)-(5-methylthiophen-2-yl)methylideneamino] acetate
CID 11229165
ethane;2-methyl-5-(5-methylthiophen-2-yl)thiophene
CID 91463281
(E)-N-[(E)-(5-methylthiophen-2-yl)diazenyl]-1-phenylethanimine
CID 50989518
5-[2-(5-methylthiophen-2-yl)ethenyl]thiophene-2-carbaldehyde
CID 85145052
CID 18472567
CID 18472567
2,5-dimethylthiophene;naphthalene
CID 91607393
CID 174366783
CID 174366783
2-methyl-5-methylsulfinylthiophene
CID 54320825
dimethyl-(5-methylthiophen-2-yl)-sulfanyl-λ4-sulfane
CID 91344391
2-methyl-5-(5-methylthiophen-2-yl)selanylthiophene
CID 15472333
2-(5-methylthiophen-2-yl)-2-(propan-2-ylamino)acetamide
CID 61347357
(4S)-4-amino-4-(5-methylthiophen-2-yl)butan-1-ol;hydrochloride
CID 171221924

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-nitrosothiophene?
The IUPAC name of 2-methyl-5-nitrosothiophene (CID 89250838) is 2-methyl-5-nitrosothiophene.
What is the SMILES notation for 2-methyl-5-nitrosothiophene?
The canonical SMILES for 2-methyl-5-nitrosothiophene is Cc1ccc(N=O)s1.
What is the InChIKey of 2-methyl-5-nitrosothiophene?
The InChIKey is GZMXHXXRNQHISB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5NOS/c1-4-2-3-5(6-7)8-4/h2-3H,1H3.
What are the key properties of 2-methyl-5-nitrosothiophene?
2-methyl-5-nitrosothiophene has a molecular weight of 127.17 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-nitrosothiophene is sourced from PubChem (CID 89250838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).