2-(4-chlorophenyl)sulfanyl-3-nitrothiophene

C10H6ClNO2S2 — CID 2821037

IUPAC2-(4-chlorophenyl)sulfanyl-3-nitrothiophene
SMILESO=[N+]([O-])c1ccsc1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H6ClNO2S2/c11-7-1-3-8(4-2-7)16-10-9(12(13)14)5-6-15-10/h1-6H
InChIKeyZYJACDBKNNRHAQ-UHFFFAOYSA-N
MW271.75 g/mol
LogP4.46
Rot. Bonds3

About 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene

2-(4-chlorophenyl)sulfanyl-3-nitrothiophene (PubChem CID 2821037) has the molecular formula C10H6ClNO2S2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-3-nitrothiophene
PubChem CID2821037
Molecular FormulaC10H6ClNO2S2
Molecular Weight271.75 g/mol
Exact Mass270.95
IUPAC Name2-(4-chlorophenyl)sulfanyl-3-nitrothiophene
SMILESO=[N+]([O-])c1ccsc1Sc1ccc(Cl)cc1
InChIInChI=1S/C10H6ClNO2S2/c11-7-1-3-8(4-2-7)16-10-9(12(13)14)5-6-15-10/h1-6H
InChIKeyZYJACDBKNNRHAQ-UHFFFAOYSA-N
XLogP4.46
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 54.46
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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Related Compounds

2-Chloro-4-nitrophenyl 2-thienyl sulphide
CID 18967579
2-(4-Chloro-2-nitrophenyl)sulfanylthiophene
CID 118723745
5-Butyl-2-(2,4-dichlorophenyl)sulfanyl-3-nitrothiophene
CID 171351231
5-(4-Chlorophenyl)sulfanyl-4-nitrothiophene-2-sulfonamide
CID 2822606
4-Nitro-2-(phenylsulfanyl)thiophene
CID 71354541
2-(4-Fluorophenyl)sulfanyl-3-nitrothiophene
CID 21827787
2,5-Bis[(4-chlorophenyl)sulfanyl]-3,4-dinitrothiophene
CID 2741285
2-Chloro-3,4-dinitro-5-(phenylthio)thiophene
CID 2779520
2-(4-Chlorophenyl)sulfinyl-3-nitrothiophene
CID 20213678
2-(Benzenesulfinyl)-3-nitrothiophene
CID 20213681
2-(2,4-Dichlorophenyl)sulfanyl-5-methylsulfonyl-3-nitro-thiophene
CID 46932146
5-Bromo-2-(2,4-dichlorophenyl)sulfanyl-3-nitro-thiophene
CID 46932244

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene (CID 2821037) is 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene is O=[N+]([O-])c1ccsc1Sc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene?
The InChIKey is ZYJACDBKNNRHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO2S2/c11-7-1-3-8(4-2-7)16-10-9(12(13)14)5-6-15-10/h1-6H.
What are the key properties of 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene?
2-(4-chlorophenyl)sulfanyl-3-nitrothiophene has a molecular weight of 271.75 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-3-nitrothiophene is sourced from PubChem (CID 2821037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).