CID 178024724

C16H15BS — CID 178024724

IUPAC—
SMILESCC.[B]c1ccc2sc(-c3ccccc3)cc2c1
InChIInChI=1S/C14H9BS.C2H6/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10;1-2/h1-9H;1-2H3
InChIKeyRBULMLBTMUZKIE-UHFFFAOYSA-N
MW250.18 g/mol
LogP4.39
Rot. Bonds1

About CID 178024724

CID 178024724 (PubChem CID 178024724) has the molecular formula C16H15BS and a molecular weight of 250.18 g/mol.

Molecular Properties

Compound NameCID 178024724
PubChem CID178024724
Molecular FormulaC16H15BS
Molecular Weight250.18 g/mol
Exact Mass250.10
IUPAC Name—
SMILESCC.[B]c1ccc2sc(-c3ccccc3)cc2c1
InChIInChI=1S/C14H9BS.C2H6/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10;1-2/h1-9H;1-2H3
InChIKeyRBULMLBTMUZKIE-UHFFFAOYSA-N
XLogP4.39
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.18
LogP ≤ 54.39
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

CID 59413459
CID 59413459
2-[4-(1-benzothiophen-2-yl)phenyl]-4,6-diphenyl-1,3,5-triazine
CID 146183527
N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]-4-phenyl-N-(4-phenylphenyl)aniline
CID 164744811
6-phenyl-16-[4-(4-phenylphenyl)phenyl]-7,11,15-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,5,8,13,16,18-octaene
CID 164729633
6,16-bis[4-(4-phenylphenyl)phenyl]-5,11,17-trithiapentacyclo[10.7.0.02,10.04,8.014,18]nonadeca-1(12),2(10),3,6,8,13,15,18-octaene
CID 164729603
7-[6-(2-phenyl-1-benzothiophen-5-yl)naphthalen-2-yl]-12,24-dithiahexacyclo[11.11.0.02,11.04,9.014,23.016,21]tetracosa-1(13),2(11),3,5,7,9,14,16,18,20,22-undecaene
CID 167363996
N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-methylanilino)phenyl]phenyl]-4-methylaniline;N-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]-4-phenylanilino)phenyl]phenyl]-4-phenylaniline;4-[4-(1-benzothiophen-2-yl)phenyl]-N-[4-[4-(N-[4-[4-(1-benzothiophen-2-yl)phenyl]phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 158392817
3-(5-methyl-1-benzothiophen-2-yl)pyridine
CID 122397868
4-(1-benzothiophen-2-yl)-N-[4-(1-benzothiophen-2-yl)phenyl]-N-phenylaniline
CID 58636103
N,N-diethyl-2-[2-(2-phenyl-1-benzothiophen-5-yl)ethoxy]ethanamine
CID 22666445
7-phenyl-2-[2,3,5,6-tetrafluoro-4-(7-phenyl-[1]benzothiolo[5,6-f][1]benzothiol-2-yl)phenyl]-[1]benzothiolo[5,6-f][1]benzothiole
CID 170275022
N-[4-(1-benzothiophen-2-yl)phenyl]-4-[4-[4-(N-[4-(1-benzothiophen-2-yl)phenyl]anilino)phenyl]phenyl]-N-phenylaniline
CID 59720610

Frequently Asked Questions

What is the IUPAC name of CID 178024724?
The IUPAC name of CID 178024724 (CID 178024724) is not available.
What is the SMILES notation for CID 178024724?
The canonical SMILES for CID 178024724 is CC.[B]c1ccc2sc(-c3ccccc3)cc2c1.
What is the InChIKey of CID 178024724?
The InChIKey is RBULMLBTMUZKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9BS.C2H6/c15-12-6-7-13-11(8-12)9-14(16-13)10-4-2-1-3-5-10;1-2/h1-9H;1-2H3.
What are the key properties of CID 178024724?
CID 178024724 has a molecular weight of 250.18 g/mol, XLogP of 4.39, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 178024724 is sourced from PubChem (CID 178024724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).