methyl thiophene-2-carboximidothioate

C6H7NS2 — CID 10487134

IUPACmethyl thiophene-2-carboximidothioate
SMILES[H]/N=C(\SC)c1cccs1
InChIInChI=1S/C6H7NS2/c1-8-6(7)5-3-2-4-9-5/h2-4,7H,1H3/b7-6-
InChIKeyNMDRLHVOLQZPJX-SREVYHEPSA-N
MW157.26 g/mol
LogP2.44
Rot. Bonds1

About methyl thiophene-2-carboximidothioate

methyl thiophene-2-carboximidothioate (PubChem CID 10487134) has the molecular formula C6H7NS2 and a molecular weight of 157.26 g/mol. Its IUPAC name is methyl thiophene-2-carboximidothioate.

Molecular Properties

Compound Namemethyl thiophene-2-carboximidothioate
PubChem CID10487134
Molecular FormulaC6H7NS2
Molecular Weight157.26 g/mol
Exact Mass157.00
IUPAC Namemethyl thiophene-2-carboximidothioate
SMILES[H]/N=C(\SC)c1cccs1
InChIInChI=1S/C6H7NS2/c1-8-6(7)5-3-2-4-9-5/h2-4,7H,1H3/b7-6-
InChIKeyNMDRLHVOLQZPJX-SREVYHEPSA-N
XLogP2.44
TPSA23.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.26
LogP ≤ 52.44
H-Bond Donors ≤ 51
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 methyl thiophene-2-carboximidothioate?
The IUPAC name of methyl thiophene-2-carboximidothioate (CID 10487134) is methyl thiophene-2-carboximidothioate.
What is the SMILES notation for methyl thiophene-2-carboximidothioate?
The canonical SMILES for methyl thiophene-2-carboximidothioate is [H]/N=C(\SC)c1cccs1.
What is the InChIKey of methyl thiophene-2-carboximidothioate?
The InChIKey is NMDRLHVOLQZPJX-SREVYHEPSA-N. The full InChI is InChI=1S/C6H7NS2/c1-8-6(7)5-3-2-4-9-5/h2-4,7H,1H3/b7-6-.
What are the key properties of methyl thiophene-2-carboximidothioate?
methyl thiophene-2-carboximidothioate has a molecular weight of 157.26 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl thiophene-2-carboximidothioate is sourced from PubChem (CID 10487134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).