2-(thiophen-2-ylmethylsulfanyl)ethylazanium

C7H12NS2+ — CID 7129022

IUPAC2-(thiophen-2-ylmethylsulfanyl)ethylazanium
SMILES[NH3+]CCSCc1cccs1
InChIInChI=1S/C7H11NS2/c8-3-5-9-6-7-2-1-4-10-7/h1-2,4H,3,5-6,8H2/p+1
InChIKeyJXZZRROZGUTKFV-UHFFFAOYSA-O
MW174.31 g/mol
LogP1.22
Rot. Bonds4

About 2-(thiophen-2-ylmethylsulfanyl)ethylazanium

2-(thiophen-2-ylmethylsulfanyl)ethylazanium (PubChem CID 7129022) has the molecular formula C7H12NS2+ and a molecular weight of 174.31 g/mol. Its IUPAC name is 2-(thiophen-2-ylmethylsulfanyl)ethylazanium.

Molecular Properties

Compound Name2-(thiophen-2-ylmethylsulfanyl)ethylazanium
PubChem CID7129022
Molecular FormulaC7H12NS2+
Molecular Weight174.31 g/mol
Exact Mass174.04
IUPAC Name2-(thiophen-2-ylmethylsulfanyl)ethylazanium
SMILES[NH3+]CCSCc1cccs1
InChIInChI=1S/C7H11NS2/c8-3-5-9-6-7-2-1-4-10-7/h1-2,4H,3,5-6,8H2/p+1
InChIKeyJXZZRROZGUTKFV-UHFFFAOYSA-O
XLogP1.22
TPSA27.64 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.31
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(methylsulfanylmethyl)thiophene
CID 12872111
2-[[(E)-3-bromoprop-2-enyl]sulfanylmethyl]thiophene
CID 10514737
2-[(4-methylphenyl)methylsulfanylmethyl]thiophene
CID 5159898
1-(thiophen-2-ylmethylsulfanyl)propan-2-amine
CID 66217000
2-(ethenylsulfanylmethyl)thiophene
CID 19076101
2-[(3,4-dichlorophenyl)methylsulfanylmethyl]thiophene
CID 5060586
N-methyl-2-(thiophen-2-ylmethylsulfanyl)acetamide
CID 60645758
(2S)-2-amino-3-(thiophen-2-ylmethylsulfanyl)propanoic acid
CID 36690947
4-iodo-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]benzamide
CID 46684444
2-(2-thiophen-2-ylethylsulfanyl)ethanamine
CID 19018756
(2R)-2-[[2-(thiophen-2-ylmethylsulfanyl)acetyl]amino]propanoic acid
CID 78972918
5-methyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]thiophene-2-carboxamide
CID 46516732

Frequently Asked Questions

What is the IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)ethylazanium?
The IUPAC name of 2-(thiophen-2-ylmethylsulfanyl)ethylazanium (CID 7129022) is 2-(thiophen-2-ylmethylsulfanyl)ethylazanium.
What is the SMILES notation for 2-(thiophen-2-ylmethylsulfanyl)ethylazanium?
The canonical SMILES for 2-(thiophen-2-ylmethylsulfanyl)ethylazanium is [NH3+]CCSCc1cccs1.
What is the InChIKey of 2-(thiophen-2-ylmethylsulfanyl)ethylazanium?
The InChIKey is JXZZRROZGUTKFV-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H11NS2/c8-3-5-9-6-7-2-1-4-10-7/h1-2,4H,3,5-6,8H2/p+1.
What are the key properties of 2-(thiophen-2-ylmethylsulfanyl)ethylazanium?
2-(thiophen-2-ylmethylsulfanyl)ethylazanium has a molecular weight of 174.31 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(thiophen-2-ylmethylsulfanyl)ethylazanium is sourced from PubChem (CID 7129022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).