2-methyl-3-thiophen-2-ylsulfanylpropanimidamide

C8H12N2S2 — CID 43369098

IUPAC2-methyl-3-thiophen-2-ylsulfanylpropanimidamide
SMILES[H]/N=C(\N)C(C)CSc1cccs1
InChIInChI=1S/C8H12N2S2/c1-6(8(9)10)5-12-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H3,9,10)
InChIKeyAPLFFKHYQWUOCZ-UHFFFAOYSA-N
MW200.33 g/mol
LogP2.41
Rot. Bonds4

About 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide

2-methyl-3-thiophen-2-ylsulfanylpropanimidamide (PubChem CID 43369098) has the molecular formula C8H12N2S2 and a molecular weight of 200.33 g/mol. Its IUPAC name is 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide.

Molecular Properties

Compound Name2-methyl-3-thiophen-2-ylsulfanylpropanimidamide
PubChem CID43369098
Molecular FormulaC8H12N2S2
Molecular Weight200.33 g/mol
Exact Mass200.04
IUPAC Name2-methyl-3-thiophen-2-ylsulfanylpropanimidamide
SMILES[H]/N=C(\N)C(C)CSc1cccs1
InChIInChI=1S/C8H12N2S2/c1-6(8(9)10)5-12-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H3,9,10)
InChIKeyAPLFFKHYQWUOCZ-UHFFFAOYSA-N
XLogP2.41
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.33
LogP ≤ 52.41
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

N-Hydroxy-2-(2-thienylthio)ethanimidamide
CID 2819636
N'-hydroxy-2-thiophen-2-ylsulfanylethanimidamide
CID 5715529
N-Hydroxy[(thiophen-2-yl)sulfanyl]ethanimidamide
CID 9584229
3,3,3-trifluoro-N'-hydroxy-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
CID 103371309
3,3,3-Trifluoro-2-(thiophen-2-ylsulfanylmethyl)propanimidamide
CID 103371409
2-Thiophen-2-ylsulfanylethanimidamide
CID 28602932
3-Thiophen-2-ylsulfanylpropanimidamide
CID 28602936
4-Thiophen-2-ylsulfanylbutanimidamide
CID 28602938
N'-hydroxy-4-thiophen-2-ylsulfanylbutanimidamide
CID 43200142
N'-hydroxy-3-thiophen-2-ylsulfanylpropanimidamide
CID 43200144
N'-hydroxy-3-thiophen-2-ylsulfanylpentanimidamide
CID 43369063
N'-hydroxy-2-methyl-3-thiophen-2-ylsulfanylpropanimidamide
CID 43369064

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide?
The IUPAC name of 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide (CID 43369098) is 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide.
What is the SMILES notation for 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide?
The canonical SMILES for 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide is [H]/N=C(\N)C(C)CSc1cccs1.
What is the InChIKey of 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide?
The InChIKey is APLFFKHYQWUOCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2S2/c1-6(8(9)10)5-12-7-3-2-4-11-7/h2-4,6H,5H2,1H3,(H3,9,10).
What are the key properties of 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide?
2-methyl-3-thiophen-2-ylsulfanylpropanimidamide has a molecular weight of 200.33 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-thiophen-2-ylsulfanylpropanimidamide is sourced from PubChem (CID 43369098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).