7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride

C10H10BrClN2OS — CID 19007709

IUPAC7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc2c(OC)ccc(Br)c2s1
InChIInChI=1S/C10H9BrN2OS.ClH/c1-14-7-3-2-6(11)9-5(7)4-8(15-9)10(12)13;/h2-4H,1H3,(H3,12,13);1H
InChIKeyJEXOCLRLZZHOEZ-UHFFFAOYSA-N
MW321.63 g/mol
LogP3.38
Rot. Bonds2

About 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride

7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride (PubChem CID 19007709) has the molecular formula C10H10BrClN2OS and a molecular weight of 321.63 g/mol. Its IUPAC name is 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride
PubChem CID19007709
Molecular FormulaC10H10BrClN2OS
Molecular Weight321.63 g/mol
Exact Mass319.94
IUPAC Name7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc2c(OC)ccc(Br)c2s1
InChIInChI=1S/C10H9BrN2OS.ClH/c1-14-7-3-2-6(11)9-5(7)4-8(15-9)10(12)13;/h2-4H,1H3,(H3,12,13);1H
InChIKeyJEXOCLRLZZHOEZ-UHFFFAOYSA-N
XLogP3.38
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.63
LogP ≤ 53.38
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

7-bromo-4-methoxy-1-benzothiophene-2-carboxylic acid
CID 22721627
7-methoxy-1-benzothiophene-2-carboximidamide
CID 83677734
5-[5-(3,4,5-trimethoxyphenyl)thiophen-2-yl]thiophene-2-carboximidamide
CID 155515500
7-(3,4-dimethoxyphenyl)-5-methyl-4-oxothieno[3,2-c]pyridine-2-carboximidamide
CID 154670994
5-bromothiophene-2-carboximidamide;hydrochloride
CID 44607693
5-methylthiophene-2-carboximidamide;hydrochloride
CID 52988386
4-bromo-5-methyl-1-benzothiophene-2-carboximidamide;dodecahydrate;hydrochloride
CID 19007357
2-bromo-4,5-dimethoxybenzenecarboximidamide
CID 60926806
4-(methoxymethyl)-1-benzothiophene-2-carboximidamide
CID 89153115
2-bromo-3-fluoro-4-methoxybenzenecarboximidamide
CID 107536678
3-bromo-4-(3-methoxyphenoxy)benzenecarboximidamide
CID 82799441
2-[2-[2-(4,7-dimethoxy-1-benzothiophene-2-carbonyl)oxyethoxy]ethoxy]ethyl 4,7-dimethoxy-1-benzothiophene-2-carboxylate
CID 10603498

Frequently Asked Questions

What is the IUPAC name of 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride?
The IUPAC name of 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride (CID 19007709) is 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride.
What is the SMILES notation for 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride?
The canonical SMILES for 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc2c(OC)ccc(Br)c2s1.
What is the InChIKey of 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride?
The InChIKey is JEXOCLRLZZHOEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2OS.ClH/c1-14-7-3-2-6(11)9-5(7)4-8(15-9)10(12)13;/h2-4H,1H3,(H3,12,13);1H.
What are the key properties of 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride?
7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride has a molecular weight of 321.63 g/mol, XLogP of 3.38, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-4-methoxy-1-benzothiophene-2-carboximidamide;hydrochloride is sourced from PubChem (CID 19007709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).