2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene

C9H7NO2S3 — CID 10355118

IUPAC2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene
SMILESCSc1ccc(-c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C9H7NO2S3/c1-13-9-5-3-7(15-9)6-2-4-8(14-6)10(11)12/h2-5H,1H3
InChIKeyDIRKSUGJNDKXDD-UHFFFAOYSA-N
MW257.36 g/mol
LogP4.11
Rot. Bonds3

About 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene

2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene (PubChem CID 10355118) has the molecular formula C9H7NO2S3 and a molecular weight of 257.36 g/mol. Its IUPAC name is 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene.

Molecular Properties

Compound Name2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene
PubChem CID10355118
Molecular FormulaC9H7NO2S3
Molecular Weight257.36 g/mol
Exact Mass256.96
IUPAC Name2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene
SMILESCSc1ccc(-c2ccc([N+](=O)[O-])s2)s1
InChIInChI=1S/C9H7NO2S3/c1-13-9-5-3-7(15-9)6-2-4-8(14-6)10(11)12/h2-5H,1H3
InChIKeyDIRKSUGJNDKXDD-UHFFFAOYSA-N
XLogP4.11
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.36
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-Methyl-5-nitrothiophene
CID 13949280
2-(5-Nitro-2-thienyl)-5-(2-thienyl)thiophene
CID 454750
2-Nitrothieno[3,2-b]thiophene
CID 59015268
5-Nitro-2,2'-bithiophene
CID 12515477
3-Nitro-2,2'-bithiophene
CID 12515491
2-Ethyl-5-nitrothiophene
CID 13742234
5-Dimethylamino-5'-nitro-2,2-bithiophene
CID 15191002
2-nitro-5-[(1E,3E)-1,2,3,4-tetrafluoro-4-thiophen-2-ylbuta-1,3-dienyl]thiophene
CID 102330656
2-Propenenitrile, (E)-, mixt. with (Z)-3-(5-nitro-2-thienyl)-2-propenenitrile
CID 54607727
3'-Nitro-5-methyl-2,2'-bithiophene
CID 12515486
5'-Nitro-5-methyl-2,2'-bithiophene
CID 12515487
2-Nitro-3-thiophen-2-ylthiophene
CID 13354809

Frequently Asked Questions

What is the IUPAC name of 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene?
The IUPAC name of 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene (CID 10355118) is 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene.
What is the SMILES notation for 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene?
The canonical SMILES for 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene is CSc1ccc(-c2ccc([N+](=O)[O-])s2)s1.
What is the InChIKey of 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene?
The InChIKey is DIRKSUGJNDKXDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7NO2S3/c1-13-9-5-3-7(15-9)6-2-4-8(14-6)10(11)12/h2-5H,1H3.
What are the key properties of 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene?
2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene has a molecular weight of 257.36 g/mol, XLogP of 4.11, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methylsulfanylthiophen-2-yl)-5-nitrothiophene is sourced from PubChem (CID 10355118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).