CID 143152957

C8H6AlNS — CID 143152957

IUPAC—
SMILESN#Cc1ccccc1CS[Al]
InChIInChI=1S/C8H7NS.Al/c9-5-7-3-1-2-4-8(7)6-10;/h1-4,10H,6H2;/q;+1/p-1
InChIKeyLJAKDWFXCNKECJ-UHFFFAOYSA-M
MW175.19 g/mol
LogP1.87
Rot. Bonds2

About CID 143152957

CID 143152957 (PubChem CID 143152957) has the molecular formula C8H6AlNS and a molecular weight of 175.19 g/mol.

Molecular Properties

Compound NameCID 143152957
PubChem CID143152957
Molecular FormulaC8H6AlNS
Molecular Weight175.19 g/mol
Exact Mass175.00
IUPAC Name—
SMILESN#Cc1ccccc1CS[Al]
InChIInChI=1S/C8H7NS.Al/c9-5-7-3-1-2-4-8(7)6-10;/h1-4,10H,6H2;/q;+1/p-1
InChIKeyLJAKDWFXCNKECJ-UHFFFAOYSA-M
XLogP1.87
TPSA23.79 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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2-[(3,5-dimethylphenyl)methylsulfanylmethyl]benzonitrile
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2-(iodomethyl)benzonitrile
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2-(3-cyanopropylsulfanylmethyl)benzonitrile
CID 82531261
2-[(4-bromophenyl)sulfanylmethyl]benzonitrile
CID 43235889
2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzonitrile
CID 728267
2-(2-methylprop-2-enylsulfanylmethyl)benzonitrile
CID 82178449
2-(naphthalen-2-ylsulfanylmethyl)benzonitrile
CID 7571368
2-[[bis[(2-cyanophenyl)methyl]amino]methyl]benzonitrile
CID 123672442
2-[(2-cyanophenyl)methylsulfanylmethyl]benzoic acid
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Frequently Asked Questions

What is the IUPAC name of CID 143152957?
The IUPAC name of CID 143152957 (CID 143152957) is not available.
What is the SMILES notation for CID 143152957?
The canonical SMILES for CID 143152957 is N#Cc1ccccc1CS[Al].
What is the InChIKey of CID 143152957?
The InChIKey is LJAKDWFXCNKECJ-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H7NS.Al/c9-5-7-3-1-2-4-8(7)6-10;/h1-4,10H,6H2;/q;+1/p-1.
What are the key properties of CID 143152957?
CID 143152957 has a molecular weight of 175.19 g/mol, XLogP of 1.87, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 143152957 is sourced from PubChem (CID 143152957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).