5-methylsulfanylthiophene-2-carboximidamide

C6H8N2S2 — CID 10313318

IUPAC5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC)s1
InChIInChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8)
InChIKeyAXSQTCBARFBKPH-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.75
Rot. Bonds2

About 5-methylsulfanylthiophene-2-carboximidamide

5-methylsulfanylthiophene-2-carboximidamide (PubChem CID 10313318) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 5-methylsulfanylthiophene-2-carboximidamide.

Molecular Properties

Compound Name5-methylsulfanylthiophene-2-carboximidamide
PubChem CID10313318
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name5-methylsulfanylthiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1ccc(SC)s1
InChIInChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8)
InChIKeyAXSQTCBARFBKPH-UHFFFAOYSA-N
XLogP1.75
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.75
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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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylthiophene-2-carboximidamide?
The IUPAC name of 5-methylsulfanylthiophene-2-carboximidamide (CID 10313318) is 5-methylsulfanylthiophene-2-carboximidamide.
What is the SMILES notation for 5-methylsulfanylthiophene-2-carboximidamide?
The canonical SMILES for 5-methylsulfanylthiophene-2-carboximidamide is [H]/N=C(\N)c1ccc(SC)s1.
What is the InChIKey of 5-methylsulfanylthiophene-2-carboximidamide?
The InChIKey is AXSQTCBARFBKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H3,7,8).
What are the key properties of 5-methylsulfanylthiophene-2-carboximidamide?
5-methylsulfanylthiophene-2-carboximidamide has a molecular weight of 172.28 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylthiophene-2-carboximidamide is sourced from PubChem (CID 10313318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).