2-thiophen-3-ylethyl carbamimidothioate

C7H10N2S2 — CID 65211727

IUPAC2-thiophen-3-ylethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCc1ccsc1
InChIInChI=1S/C7H10N2S2/c8-7(9)11-4-2-6-1-3-10-5-6/h1,3,5H,2,4H2,(H3,8,9)
InChIKeyINGSLIKNEILCLH-UHFFFAOYSA-N
MW186.31 g/mol
LogP1.92
Rot. Bonds3

About 2-thiophen-3-ylethyl carbamimidothioate

2-thiophen-3-ylethyl carbamimidothioate (PubChem CID 65211727) has the molecular formula C7H10N2S2 and a molecular weight of 186.31 g/mol. Its IUPAC name is 2-thiophen-3-ylethyl carbamimidothioate.

Molecular Properties

Compound Name2-thiophen-3-ylethyl carbamimidothioate
PubChem CID65211727
Molecular FormulaC7H10N2S2
Molecular Weight186.31 g/mol
Exact Mass186.03
IUPAC Name2-thiophen-3-ylethyl carbamimidothioate
SMILES[H]/N=C(\N)SCCc1ccsc1
InChIInChI=1S/C7H10N2S2/c8-7(9)11-4-2-6-1-3-10-5-6/h1,3,5H,2,4H2,(H3,8,9)
InChIKeyINGSLIKNEILCLH-UHFFFAOYSA-N
XLogP1.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.31
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-[4-[2-(1,3-thiazol-2-ylsulfanyl)ethyl]phenyl]ethyl carbamimidothioate
CID 169053158
2-carbamimidoylsulfanylethyl carbamimidothioate dibromide
CID 21236844
(2S)-2-carbamimidoylsulfanyl-3-[4-(2-carbamimidoylsulfanylethyl)phenyl]propanoic acid
CID 170225899
2-[4-[(2S)-2-carbamimidoylsulfanyl-4-(dimethylamino)butyl]phenyl]ethyl carbamimidothioate
CID 170225972
4-thiophen-3-ylbutan-1-ol
CID 54222621
N'-(2-thiophen-3-ylethyl)benzenecarboximidamide
CID 63177343
acetic acid;2-thiophen-3-ylethanimidamide
CID 122460781
12-thiophen-3-yldodecan-1-ol
CID 67533520
5-thiophen-3-ylpentanamide
CID 11171370
4-(2-bromoethyl)-1,2-dichlorobenzene;2-(3,4-dichlorophenyl)ethanol;bis(2-(3,4-dichlorophenyl)ethyl carbamimidothioate)
CID 157224003
2-[4-(5-carbamimidoylsulfanylpyrazol-1-yl)phenyl]ethyl carbamimidothioate
CID 170226142
3-[methyl(thiophen-3-ylmethyl)amino]propanimidamide
CID 43528289

Frequently Asked Questions

What is the IUPAC name of 2-thiophen-3-ylethyl carbamimidothioate?
The IUPAC name of 2-thiophen-3-ylethyl carbamimidothioate (CID 65211727) is 2-thiophen-3-ylethyl carbamimidothioate.
What is the SMILES notation for 2-thiophen-3-ylethyl carbamimidothioate?
The canonical SMILES for 2-thiophen-3-ylethyl carbamimidothioate is [H]/N=C(\N)SCCc1ccsc1.
What is the InChIKey of 2-thiophen-3-ylethyl carbamimidothioate?
The InChIKey is INGSLIKNEILCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2S2/c8-7(9)11-4-2-6-1-3-10-5-6/h1,3,5H,2,4H2,(H3,8,9).
What are the key properties of 2-thiophen-3-ylethyl carbamimidothioate?
2-thiophen-3-ylethyl carbamimidothioate has a molecular weight of 186.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-thiophen-3-ylethyl carbamimidothioate is sourced from PubChem (CID 65211727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).