4-methyl-1-benzothiophene-2-carboximidamide

C10H10N2S — CID 15230351

IUPAC4-methyl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(C)cccc2s1
InChIInChI=1S/C10H10N2S/c1-6-3-2-4-8-7(6)5-9(13-8)10(11)12/h2-5H,1H3,(H3,11,12)
InChIKeyZUQRTDFKVYQSKV-UHFFFAOYSA-N
MW190.27 g/mol
LogP2.49
Rot. Bonds1

About 4-methyl-1-benzothiophene-2-carboximidamide

4-methyl-1-benzothiophene-2-carboximidamide (PubChem CID 15230351) has the molecular formula C10H10N2S and a molecular weight of 190.27 g/mol. Its IUPAC name is 4-methyl-1-benzothiophene-2-carboximidamide.

Molecular Properties

Compound Name4-methyl-1-benzothiophene-2-carboximidamide
PubChem CID15230351
Molecular FormulaC10H10N2S
Molecular Weight190.27 g/mol
Exact Mass190.06
IUPAC Name4-methyl-1-benzothiophene-2-carboximidamide
SMILES[H]/N=C(\N)c1cc2c(C)cccc2s1
InChIInChI=1S/C10H10N2S/c1-6-3-2-4-8-7(6)5-9(13-8)10(11)12/h2-5H,1H3,(H3,11,12)
InChIKeyZUQRTDFKVYQSKV-UHFFFAOYSA-N
XLogP2.49
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.27
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

B-428
CID 1747
1-Benzothiophene-2-carboximidamide
CID 444754
4-Phenyl-benzo[b]thiophene-2-carboxamidine
CID 15230353
4-Iodobenzo(B)Thiophene-2-Carboxamidine
CID 1746
Benzo[B]Thiophene-2-Carboxamidine
CID 444753
2-(4-Amidinophenyl)benzo(b)thiophene-6-carboxamidine
CID 145768
4-iodo-1-benzothiophene-2-carboxiMidaMide hydrochloride
CID 9797957
5-Methylsulfanyl-4-phenyl-thiophene-2-carboxamidine
CID 9881397
5-(5-Phenylthiophen-2-yl)thiophene-2-carboximidamide
CID 155528737
5-Phenyl-1-benzothiophene-2-carboximidamide;hydrochloride
CID 19007350
Dibenzothiophene-2,8-dicarboxamidine
CID 463752
Dibenzothiophene-3,7-dicarboxamidine
CID 469565

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-benzothiophene-2-carboximidamide?
The IUPAC name of 4-methyl-1-benzothiophene-2-carboximidamide (CID 15230351) is 4-methyl-1-benzothiophene-2-carboximidamide.
What is the SMILES notation for 4-methyl-1-benzothiophene-2-carboximidamide?
The canonical SMILES for 4-methyl-1-benzothiophene-2-carboximidamide is [H]/N=C(\N)c1cc2c(C)cccc2s1.
What is the InChIKey of 4-methyl-1-benzothiophene-2-carboximidamide?
The InChIKey is ZUQRTDFKVYQSKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2S/c1-6-3-2-4-8-7(6)5-9(13-8)10(11)12/h2-5H,1H3,(H3,11,12).
What are the key properties of 4-methyl-1-benzothiophene-2-carboximidamide?
4-methyl-1-benzothiophene-2-carboximidamide has a molecular weight of 190.27 g/mol, XLogP of 2.49, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-benzothiophene-2-carboximidamide is sourced from PubChem (CID 15230351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).