CID 135081547

C9H9KS+ — CID 135081547

IUPAC—
SMILESC=C[CH]Sc1ccccc1.[K+]
InChIInChI=1S/C9H9S.K/c1-2-8-10-9-6-4-3-5-7-9;/h2-8H,1H2;/q;+1
InChIKeyWFVUZUJRAYZDOO-UHFFFAOYSA-N
MW188.34 g/mol
LogP0.13
Rot. Bonds3

About CID 135081547

CID 135081547 (PubChem CID 135081547) has the molecular formula C9H9KS+ and a molecular weight of 188.34 g/mol.

Molecular Properties

Compound NameCID 135081547
PubChem CID135081547
Molecular FormulaC9H9KS+
Molecular Weight188.34 g/mol
Exact Mass188.01
IUPAC Name—
SMILESC=C[CH]Sc1ccccc1.[K+]
InChIInChI=1S/C9H9S.K/c1-2-8-10-9-6-4-3-5-7-9;/h2-8H,1H2;/q;+1
InChIKeyWFVUZUJRAYZDOO-UHFFFAOYSA-N
XLogP0.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.34
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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[(1E,3Z)-hexa-1,3,5-trienyl]sulfanylbenzene
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(Z)-3-phenylsulfanylprop-2-en-1-ol
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3,3,3-trifluoroprop-1-enylsulfanylbenzene
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phenyl N-methylmethanimidothioate
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benzene;[(3E)-hexa-1,3,5-trien-3-yl]sulfanylbenzene
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[(E)-2-methyl-4-phenylsulfanylbut-3-en-2-yl]sulfanylbenzene
CID 11808288
(1-ethenylcyclobutyl)sulfanylbenzene
CID 15882644
[(1E,3E)-4-bromobuta-1,3-dienyl]sulfanylbenzene
CID 11791331
S-phenyl prop-2-enethioate
CID 10940854
[(E)-but-1-enyl]sulfanylbenzene
CID 5463005
benzene;[(3E)-hexa-1,3,5-trien-3-yl]sulfanylbenzene;methanol
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Frequently Asked Questions

What is the IUPAC name of CID 135081547?
The IUPAC name of CID 135081547 (CID 135081547) is not available.
What is the SMILES notation for CID 135081547?
The canonical SMILES for CID 135081547 is C=C[CH]Sc1ccccc1.[K+].
What is the InChIKey of CID 135081547?
The InChIKey is WFVUZUJRAYZDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9S.K/c1-2-8-10-9-6-4-3-5-7-9;/h2-8H,1H2;/q;+1.
What are the key properties of CID 135081547?
CID 135081547 has a molecular weight of 188.34 g/mol, XLogP of 0.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 135081547 is sourced from PubChem (CID 135081547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).