CID 89318726

C10H7BOS — CID 89318726

IUPAC—
SMILES[B]CC(=O)c1cccc2sccc12
InChIInChI=1S/C10H7BOS/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-5H,6H2
InChIKeyHXHDRAMCMZIILS-UHFFFAOYSA-N
MW186.04 g/mol
LogP2.67
Rot. Bonds2

About CID 89318726

CID 89318726 (PubChem CID 89318726) has the molecular formula C10H7BOS and a molecular weight of 186.04 g/mol.

Molecular Properties

Compound NameCID 89318726
PubChem CID89318726
Molecular FormulaC10H7BOS
Molecular Weight186.04 g/mol
Exact Mass186.03
IUPAC Name—
SMILES[B]CC(=O)c1cccc2sccc12
InChIInChI=1S/C10H7BOS/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-5H,6H2
InChIKeyHXHDRAMCMZIILS-UHFFFAOYSA-N
XLogP2.67
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.04
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

N-(2-aminoethyl)-1-benzothiophene-4-carboxamide
CID 53397320
carbamoyl 1-benzothiophene-4-carboxylate
CID 91244894
4-(1-benzothiophen-4-yl)-1-benzothiophene
CID 69333548
N-[(3-methylazetidin-3-yl)methyl]-1-benzothiophene-4-carboxamide;2,2,2-trifluoroacetic acid
CID 172894876
methyl 4-(1-benzothiophen-4-yl)but-3-enoate
CID 170501011
N-(2-methylsulfanylpropyl)-1-benzothiophen-4-amine
CID 134315239
5-[2-(3-fluorophenyl)-2-oxoethyl]thieno[3,2-c]pyridin-4-one
CID 115912066
N-propan-2-yl-1-benzothiophen-4-amine
CID 76849112
1-benzothiophene-4,6-dicarboxylic acid
CID 139992435
4-(1-benzothiophen-3-yl)-2,4-dioxobutanoic acid
CID 510857
1-(1-benzothiophen-4-yl)-2-bromoethanone;1-(1-benzothiophen-4-yl)ethanone;1-(1-benzothiophen-4-yl)-2-hydroxyethanone;4-(1-benzothiophen-4-yl)-1,3-oxazol-2-amine;[2-(1-benzothiophen-4-yl)-2-oxoethyl] acetate;methane
CID 158009452
tert-butyl N-(1-benzothiophen-4-yl)carbamate
CID 18542532

Frequently Asked Questions

What is the IUPAC name of CID 89318726?
The IUPAC name of CID 89318726 (CID 89318726) is not available.
What is the SMILES notation for CID 89318726?
The canonical SMILES for CID 89318726 is [B]CC(=O)c1cccc2sccc12.
What is the InChIKey of CID 89318726?
The InChIKey is HXHDRAMCMZIILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BOS/c11-6-9(12)7-2-1-3-10-8(7)4-5-13-10/h1-5H,6H2.
What are the key properties of CID 89318726?
CID 89318726 has a molecular weight of 186.04 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 89318726 is sourced from PubChem (CID 89318726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).