5-methylsulfanylthiophene-2-carboximidamide;hydrochloride

C6H9ClN2S2 — CID 22456134

IUPAC5-methylsulfanylthiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(SC)s1
InChIInChI=1S/C6H8N2S2.ClH/c1-9-5-3-2-4(10-5)6(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKeyBCWPEPLUHHZPDG-UHFFFAOYSA-N
MW208.74 g/mol
LogP2.18
Rot. Bonds2

About 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride

5-methylsulfanylthiophene-2-carboximidamide;hydrochloride (PubChem CID 22456134) has the molecular formula C6H9ClN2S2 and a molecular weight of 208.74 g/mol. Its IUPAC name is 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-methylsulfanylthiophene-2-carboximidamide;hydrochloride
PubChem CID22456134
Molecular FormulaC6H9ClN2S2
Molecular Weight208.74 g/mol
Exact Mass207.99
IUPAC Name5-methylsulfanylthiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ccc(SC)s1
InChIInChI=1S/C6H8N2S2.ClH/c1-9-5-3-2-4(10-5)6(7)8;/h2-3H,1H3,(H3,7,8);1H
InChIKeyBCWPEPLUHHZPDG-UHFFFAOYSA-N
XLogP2.18
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.74
LogP ≤ 52.18
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

5-Methylsulfanyl-thiophene-2-carboxamidine
CID 10313318
Thiophene-2-carboximidamide
CID 2781760
N'-Hydroxythiophene-2-carboximidamide
CID 2760620
Thiophene-2-carboximidamide Hydrochloride
CID 2781759
5-Mercaptomethyl-thiophene-2-carboxamidine
CID 44383933
4-(Isopropylsulfonyl)-5-(methylthio)thiophene-2-carboxamidine
CID 18536798
2-(2-Thienyl)ethanimidamide hydrochloride
CID 42614309
N-Hydroxythiophene-2-carboximidamide
CID 5706556
[Amino(thiophen-2-yl)methylidene]azanium chloride
CID 11171147
2-Amidinothiophene hydroiodide
CID 18976265
5-Chlorothiophene-2-carboximidamide
CID 11206390
5-Fluorothiophene-2-carboximidamide
CID 55285122

Frequently Asked Questions

What is the IUPAC name of 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride?
The IUPAC name of 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride (CID 22456134) is 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ccc(SC)s1.
What is the InChIKey of 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride?
The InChIKey is BCWPEPLUHHZPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2S2.ClH/c1-9-5-3-2-4(10-5)6(7)8;/h2-3H,1H3,(H3,7,8);1H.
What are the key properties of 5-methylsulfanylthiophene-2-carboximidamide;hydrochloride?
5-methylsulfanylthiophene-2-carboximidamide;hydrochloride has a molecular weight of 208.74 g/mol, XLogP of 2.18, 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;hydrochloride is sourced from PubChem (CID 22456134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).