1-benzothiophene;gadolinium;hydrochloride

C8H7ClGdS — CID 174939578

IUPAC1-benzothiophene;gadolinium;hydrochloride
SMILESCl.[Gd].c1ccc2sccc2c1
InChIInChI=1S/C8H6S.ClH.Gd/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6H;1H;
InChIKeyGUGHNAZITQFYMS-UHFFFAOYSA-N
MW327.91 g/mol
LogP3.32
Rot. Bonds

About 1-benzothiophene;gadolinium;hydrochloride

1-benzothiophene;gadolinium;hydrochloride (PubChem CID 174939578) has the molecular formula C8H7ClGdS and a molecular weight of 327.91 g/mol. Its IUPAC name is 1-benzothiophene;gadolinium;hydrochloride.

Molecular Properties

Compound Name1-benzothiophene;gadolinium;hydrochloride
PubChem CID174939578
Molecular FormulaC8H7ClGdS
Molecular Weight327.91 g/mol
Exact Mass327.92
IUPAC Name1-benzothiophene;gadolinium;hydrochloride
SMILESCl.[Gd].c1ccc2sccc2c1
InChIInChI=1S/C8H6S.ClH.Gd/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6H;1H;
InChIKeyGUGHNAZITQFYMS-UHFFFAOYSA-N
XLogP3.32
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.91
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-benzothiophene
CID 175697738
1-benzothiophene
CID 7221
1-benzothiophene borate
CID 19601166
1-benzothiophene;thiophene
CID 67877268
1-benzothiophene;propan-2-amine
CID 67916286
1-benzothiophene;cyclopenta-1,3-diene
CID 145348127
1-benzothiophene;ethane;propan-2-one
CID 90838293
1-benzothiophene;thieno[2,3-e][1]benzothiole
CID 158748847
CID 174953800
CID 174953800
1-benzothiophene;1-benzothiophen-2-ylboronic acid
CID 159856249
1-benzothiophene;ethane;pentan-2-one
CID 91163325
1-benzothiophene;2H-thiadiazine
CID 174703745

Frequently Asked Questions

What is the IUPAC name of 1-benzothiophene;gadolinium;hydrochloride?
The IUPAC name of 1-benzothiophene;gadolinium;hydrochloride (CID 174939578) is 1-benzothiophene;gadolinium;hydrochloride.
What is the SMILES notation for 1-benzothiophene;gadolinium;hydrochloride?
The canonical SMILES for 1-benzothiophene;gadolinium;hydrochloride is Cl.[Gd].c1ccc2sccc2c1.
What is the InChIKey of 1-benzothiophene;gadolinium;hydrochloride?
The InChIKey is GUGHNAZITQFYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6S.ClH.Gd/c1-2-4-8-7(3-1)5-6-9-8;;/h1-6H;1H;.
What are the key properties of 1-benzothiophene;gadolinium;hydrochloride?
1-benzothiophene;gadolinium;hydrochloride has a molecular weight of 327.91 g/mol, XLogP of 3.32, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzothiophene;gadolinium;hydrochloride is sourced from PubChem (CID 174939578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).