5-methylsulfanylthiophene-2-carbothioamide

C6H7NS3 — CID 154747066

IUPAC5-methylsulfanylthiophene-2-carbothioamide
SMILESCSc1ccc(C(N)=S)s1
InChIInChI=1S/C6H7NS3/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyLEJLDXOGBXGYNV-UHFFFAOYSA-N
MW189.33 g/mol
LogP2.10
Rot. Bonds2

About 5-methylsulfanylthiophene-2-carbothioamide

5-methylsulfanylthiophene-2-carbothioamide (PubChem CID 154747066) has the molecular formula C6H7NS3 and a molecular weight of 189.33 g/mol. Its IUPAC name is 5-methylsulfanylthiophene-2-carbothioamide.

Molecular Properties

Compound Name5-methylsulfanylthiophene-2-carbothioamide
PubChem CID154747066
Molecular FormulaC6H7NS3
Molecular Weight189.33 g/mol
Exact Mass188.97
IUPAC Name5-methylsulfanylthiophene-2-carbothioamide
SMILESCSc1ccc(C(N)=S)s1
InChIInChI=1S/C6H7NS3/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H2,7,8)
InChIKeyLEJLDXOGBXGYNV-UHFFFAOYSA-N
XLogP2.10
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.33
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylthiophene-2-carbothioamide?
The IUPAC name of 5-methylsulfanylthiophene-2-carbothioamide (CID 154747066) is 5-methylsulfanylthiophene-2-carbothioamide.
What is the SMILES notation for 5-methylsulfanylthiophene-2-carbothioamide?
The canonical SMILES for 5-methylsulfanylthiophene-2-carbothioamide is CSc1ccc(C(N)=S)s1.
What is the InChIKey of 5-methylsulfanylthiophene-2-carbothioamide?
The InChIKey is LEJLDXOGBXGYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NS3/c1-9-5-3-2-4(10-5)6(7)8/h2-3H,1H3,(H2,7,8).
What are the key properties of 5-methylsulfanylthiophene-2-carbothioamide?
5-methylsulfanylthiophene-2-carbothioamide has a molecular weight of 189.33 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylsulfanylthiophene-2-carbothioamide is sourced from PubChem (CID 154747066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).