3-nitro-2-phenylsulfanylthiophene

C10H7NO2S2 — CID 13040001

IUPAC3-nitro-2-phenylsulfanylthiophene
SMILESO=[N+]([O-])c1ccsc1Sc1ccccc1
InChIInChI=1S/C10H7NO2S2/c12-11(13)9-6-7-14-10(9)15-8-4-2-1-3-5-8/h1-7H
InChIKeyBTPGSNGHVNSPOW-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.81
Rot. Bonds3

About 3-nitro-2-phenylsulfanylthiophene

3-nitro-2-phenylsulfanylthiophene (PubChem CID 13040001) has the molecular formula C10H7NO2S2 and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-nitro-2-phenylsulfanylthiophene.

Molecular Properties

Compound Name3-nitro-2-phenylsulfanylthiophene
PubChem CID13040001
Molecular FormulaC10H7NO2S2
Molecular Weight237.31 g/mol
Exact Mass236.99
IUPAC Name3-nitro-2-phenylsulfanylthiophene
SMILESO=[N+]([O-])c1ccsc1Sc1ccccc1
InChIInChI=1S/C10H7NO2S2/c12-11(13)9-6-7-14-10(9)15-8-4-2-1-3-5-8/h1-7H
InChIKeyBTPGSNGHVNSPOW-UHFFFAOYSA-N
XLogP3.81
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-nitro-2-phenylsulfanylthiophene?
The IUPAC name of 3-nitro-2-phenylsulfanylthiophene (CID 13040001) is 3-nitro-2-phenylsulfanylthiophene.
What is the SMILES notation for 3-nitro-2-phenylsulfanylthiophene?
The canonical SMILES for 3-nitro-2-phenylsulfanylthiophene is O=[N+]([O-])c1ccsc1Sc1ccccc1.
What is the InChIKey of 3-nitro-2-phenylsulfanylthiophene?
The InChIKey is BTPGSNGHVNSPOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO2S2/c12-11(13)9-6-7-14-10(9)15-8-4-2-1-3-5-8/h1-7H.
What are the key properties of 3-nitro-2-phenylsulfanylthiophene?
3-nitro-2-phenylsulfanylthiophene has a molecular weight of 237.31 g/mol, XLogP of 3.81, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-nitro-2-phenylsulfanylthiophene is sourced from PubChem (CID 13040001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).