CID 174588570

C10H8BS — CID 174588570

IUPAC—
SMILES[B](c1ccccc1)c1cccs1
InChIInChI=1S/C10H8BS/c1-2-5-9(6-3-1)11-10-7-4-8-12-10/h1-8H
InChIKeySSVIMKKYQJMRPH-UHFFFAOYSA-N
MW171.05 g/mol
LogP1.40
Rot. Bonds2

About CID 174588570

CID 174588570 (PubChem CID 174588570) has the molecular formula C10H8BS and a molecular weight of 171.05 g/mol.

Molecular Properties

Compound NameCID 174588570
PubChem CID174588570
Molecular FormulaC10H8BS
Molecular Weight171.05 g/mol
Exact Mass171.04
IUPAC Name—
SMILES[B](c1ccccc1)c1cccs1
InChIInChI=1S/C10H8BS/c1-2-5-9(6-3-1)11-10-7-4-8-12-10/h1-8H
InChIKeySSVIMKKYQJMRPH-UHFFFAOYSA-N
XLogP1.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.05
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 10901563
CID 10901563
2-[(E)-1,2-diphenyl-2-thiophen-2-ylethenyl]thiophene
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2-methylthionine;dihydrate
CID 118481373
2-(3,4-diphenylphenyl)thiophene
CID 150825396
2-(phenyldisulfanyl)thiophene
CID 154097796
(S)-phenyl(thiophen-2-yl)methanamine
CID 7129073
6-phenylcyclopenta[b]thiopyran
CID 175596578

Frequently Asked Questions

What is the IUPAC name of CID 174588570?
The IUPAC name of CID 174588570 (CID 174588570) is not available.
What is the SMILES notation for CID 174588570?
The canonical SMILES for CID 174588570 is [B](c1ccccc1)c1cccs1.
What is the InChIKey of CID 174588570?
The InChIKey is SSVIMKKYQJMRPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BS/c1-2-5-9(6-3-1)11-10-7-4-8-12-10/h1-8H.
What are the key properties of CID 174588570?
CID 174588570 has a molecular weight of 171.05 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 174588570 is sourced from PubChem (CID 174588570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).