2-nitroso-3-pentylthiophene

C9H13NOS — CID 175606444

IUPAC2-nitroso-3-pentylthiophene
SMILESCCCCCc1ccsc1N=O
InChIInChI=1S/C9H13NOS/c1-2-3-4-5-8-6-7-12-9(8)10-11/h6-7H,2-5H2,1H3
InChIKeyPNNHXHHBEBJOBF-UHFFFAOYSA-N
MW183.28 g/mol
LogP3.88
Rot. Bonds5

About 2-nitroso-3-pentylthiophene

2-nitroso-3-pentylthiophene (PubChem CID 175606444) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2-nitroso-3-pentylthiophene.

Molecular Properties

Compound Name2-nitroso-3-pentylthiophene
PubChem CID175606444
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2-nitroso-3-pentylthiophene
SMILESCCCCCc1ccsc1N=O
InChIInChI=1S/C9H13NOS/c1-2-3-4-5-8-6-7-12-9(8)10-11/h6-7H,2-5H2,1H3
InChIKeyPNNHXHHBEBJOBF-UHFFFAOYSA-N
XLogP3.88
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-pentyl-2-(3-pentylthiophen-2-yl)thiophene
CID 86066815
2,3-didodecylthiophene
CID 66897470
(3-hexylthiophen-2-yl)-trimethylsilane
CID 11447834
2-bromo-3-icosylthiophene
CID 141267982
(3-nonylthiophen-2-yl)phosphane
CID 21095664
2-bromo-3-dodecylthiophene
CID 10426816
3-undecyl-2-[(E)-2-(3-undecylthiophen-2-yl)ethenyl]thiophene
CID 141420064
3-dodecylthiophene-2-sulfonamide
CID 154311081
3-dodecyl-2-[(E)-2-(3-dodecylthiophen-2-yl)ethenyl]thiophene;3-dodecylthiophene-2-carbaldehyde
CID 161286013
3-ethyl-2-hexylthiophene;N-methylmethanamine
CID 142603185
2-ethenyl-3-tetradecylthiophene
CID 150440528
3-hexyl-2-[2-(3-hexylthiophen-2-yl)phenyl]thiophene
CID 141412615

Frequently Asked Questions

What is the IUPAC name of 2-nitroso-3-pentylthiophene?
The IUPAC name of 2-nitroso-3-pentylthiophene (CID 175606444) is 2-nitroso-3-pentylthiophene.
What is the SMILES notation for 2-nitroso-3-pentylthiophene?
The canonical SMILES for 2-nitroso-3-pentylthiophene is CCCCCc1ccsc1N=O.
What is the InChIKey of 2-nitroso-3-pentylthiophene?
The InChIKey is PNNHXHHBEBJOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-2-3-4-5-8-6-7-12-9(8)10-11/h6-7H,2-5H2,1H3.
What are the key properties of 2-nitroso-3-pentylthiophene?
2-nitroso-3-pentylthiophene has a molecular weight of 183.28 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitroso-3-pentylthiophene is sourced from PubChem (CID 175606444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).