2-nitroso-2-thiophen-2-ylacetic acid

C6H5NO3S — CID 54218516

IUPAC2-nitroso-2-thiophen-2-ylacetic acid
SMILESO=NC(C(=O)O)c1cccs1
InChIInChI=1S/C6H5NO3S/c8-6(9)5(7-10)4-2-1-3-11-4/h1-3,5H,(H,8,9)
InChIKeyQAWDMXZWOIOMAX-UHFFFAOYSA-N
MW171.18 g/mol
LogP1.64
Rot. Bonds3

About 2-nitroso-2-thiophen-2-ylacetic acid

2-nitroso-2-thiophen-2-ylacetic acid (PubChem CID 54218516) has the molecular formula C6H5NO3S and a molecular weight of 171.18 g/mol. Its IUPAC name is 2-nitroso-2-thiophen-2-ylacetic acid.

Molecular Properties

Compound Name2-nitroso-2-thiophen-2-ylacetic acid
PubChem CID54218516
Molecular FormulaC6H5NO3S
Molecular Weight171.18 g/mol
Exact Mass171.00
IUPAC Name2-nitroso-2-thiophen-2-ylacetic acid
SMILESO=NC(C(=O)O)c1cccs1
InChIInChI=1S/C6H5NO3S/c8-6(9)5(7-10)4-2-1-3-11-4/h1-3,5H,(H,8,9)
InChIKeyQAWDMXZWOIOMAX-UHFFFAOYSA-N
XLogP1.64
TPSA66.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.18
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(diaminomethylideneamino)-2-thiophen-2-ylacetic acid
CID 138683337
2-amino-2-thiophen-2-ylacetic acid;hydrochloride
CID 69120250
(2S,3S)-2-amino-3-hydroxy-3-thiophen-2-ylpropanoic acid
CID 6994519
(2S)-2-amino-3-thiophen-2-ylbutanedioic acid
CID 146264588
(2S)-2-amino-3-thiophen-2-ylpentanedioic acid
CID 139509804
2-amino-3-thiophen-2-ylpentanedioic acid
CID 174368637
(2S)-2,6-diamino-3-thiophen-2-ylhexanoic acid
CID 139509790
(2R)-2-(oxamoylamino)-2-thiophen-2-ylacetic acid
CID 70554703
5-chloro-2-thiophen-2-ylpentanoic acid
CID 11160300
(4R)-4-amino-4-thiophen-2-ylbutanoic acid
CID 28744265
2-thiophen-2-ylbutanoic acid;hydrochloride
CID 141021688
4-amino-4-thiophen-2-ylbutanoic acid
CID 21318673

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-2-thiophen-2-ylacetic acid?
The IUPAC name of 2-nitroso-2-thiophen-2-ylacetic acid (CID 54218516) is 2-nitroso-2-thiophen-2-ylacetic acid.
What is the SMILES notation for 2-nitroso-2-thiophen-2-ylacetic acid?
The canonical SMILES for 2-nitroso-2-thiophen-2-ylacetic acid is O=NC(C(=O)O)c1cccs1.
What is the InChIKey of 2-nitroso-2-thiophen-2-ylacetic acid?
The InChIKey is QAWDMXZWOIOMAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5NO3S/c8-6(9)5(7-10)4-2-1-3-11-4/h1-3,5H,(H,8,9).
What are the key properties of 2-nitroso-2-thiophen-2-ylacetic acid?
2-nitroso-2-thiophen-2-ylacetic acid has a molecular weight of 171.18 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-2-thiophen-2-ylacetic acid is sourced from PubChem (CID 54218516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).