3-amino-N-methylthiophene-2-carbothioamide

C6H8N2S2 — CID 10844936

IUPAC3-amino-N-methylthiophene-2-carbothioamide
SMILESCNC(=S)c1sccc1N
InChIInChI=1S/C6H8N2S2/c1-8-6(9)5-4(7)2-3-10-5/h2-3H,7H2,1H3,(H,8,9)
InChIKeyXWTYLJCXBSSRGW-UHFFFAOYSA-N
MW172.28 g/mol
LogP1.23
Rot. Bonds1

About 3-amino-N-methylthiophene-2-carbothioamide

3-amino-N-methylthiophene-2-carbothioamide (PubChem CID 10844936) has the molecular formula C6H8N2S2 and a molecular weight of 172.28 g/mol. Its IUPAC name is 3-amino-N-methylthiophene-2-carbothioamide.

Molecular Properties

Compound Name3-amino-N-methylthiophene-2-carbothioamide
PubChem CID10844936
Molecular FormulaC6H8N2S2
Molecular Weight172.28 g/mol
Exact Mass172.01
IUPAC Name3-amino-N-methylthiophene-2-carbothioamide
SMILESCNC(=S)c1sccc1N
InChIInChI=1S/C6H8N2S2/c1-8-6(9)5-4(7)2-3-10-5/h2-3H,7H2,1H3,(H,8,9)
InChIKeyXWTYLJCXBSSRGW-UHFFFAOYSA-N
XLogP1.23
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.28
LogP ≤ 51.23
H-Bond Donors ≤ 52
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 3-amino-N-methylthiophene-2-carbothioamide?
The IUPAC name of 3-amino-N-methylthiophene-2-carbothioamide (CID 10844936) is 3-amino-N-methylthiophene-2-carbothioamide.
What is the SMILES notation for 3-amino-N-methylthiophene-2-carbothioamide?
The canonical SMILES for 3-amino-N-methylthiophene-2-carbothioamide is CNC(=S)c1sccc1N.
What is the InChIKey of 3-amino-N-methylthiophene-2-carbothioamide?
The InChIKey is XWTYLJCXBSSRGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2/c1-8-6(9)5-4(7)2-3-10-5/h2-3H,7H2,1H3,(H,8,9).
What are the key properties of 3-amino-N-methylthiophene-2-carbothioamide?
3-amino-N-methylthiophene-2-carbothioamide has a molecular weight of 172.28 g/mol, XLogP of 1.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-methylthiophene-2-carbothioamide is sourced from PubChem (CID 10844936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).