CID 136679398

C7H7ClSSi — CID 136679398

IUPAC—
SMILESCSc1ccc([Si]Cl)cc1
InChIInChI=1S/C7H7ClSSi/c1-9-6-2-4-7(10-8)5-3-6/h2-5H,1H3
InChIKeyJTYFPPXMHTWWKF-UHFFFAOYSA-N
MW186.74 g/mol
LogP1.89
Rot. Bonds2

About CID 136679398

CID 136679398 (PubChem CID 136679398) has the molecular formula C7H7ClSSi and a molecular weight of 186.74 g/mol.

Molecular Properties

Compound NameCID 136679398
PubChem CID136679398
Molecular FormulaC7H7ClSSi
Molecular Weight186.74 g/mol
Exact Mass185.97
IUPAC Name—
SMILESCSc1ccc([Si]Cl)cc1
InChIInChI=1S/C7H7ClSSi/c1-9-6-2-4-7(10-8)5-3-6/h2-5H,1H3
InChIKeyJTYFPPXMHTWWKF-UHFFFAOYSA-N
XLogP1.89
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.74
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1,4-bis(methylsulfanyl)benzene;methanol
CID 143321779
ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)sulfanylbenzene
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ethane;1-methylsulfanyl-4-(4-methylsulfanylphenyl)benzene
CID 143577780
1-bromo-4-methylsulfanyl(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
CID 76972933
1-methylsulfanyl-4-(trideuteriomethylsulfanyl)benzene
CID 10797313
dichlorozirconium;bis(4-methylsulfanylphenol)
CID 174464956
3-(4-methylsulfanylphenyl)bicyclo[3.1.0]hexa-1(6),2,4-triene
CID 57273599
1-methylsulfanyl-4-[(E)-2-(4-methylsulfanylphenyl)ethenyl]benzene
CID 12652959
1-[bis(4-methylsulfanylphenyl)methyl]-4-methylsulfanylbenzene
CID 15747198
potassium;azanide;1-methyl-4-methylsulfanylbenzene
CID 164525020
1-methyl-4-[4-(4-methylsulfanylphenyl)phenyl]benzene
CID 130214671
1-chloro-4-methylsulfanylbenzene;methane;methylsulfanylbenzene
CID 160826513

Frequently Asked Questions

What is the IUPAC name of CID 136679398?
The IUPAC name of CID 136679398 (CID 136679398) is not available.
What is the SMILES notation for CID 136679398?
The canonical SMILES for CID 136679398 is CSc1ccc([Si]Cl)cc1.
What is the InChIKey of CID 136679398?
The InChIKey is JTYFPPXMHTWWKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7ClSSi/c1-9-6-2-4-7(10-8)5-3-6/h2-5H,1H3.
What are the key properties of CID 136679398?
CID 136679398 has a molecular weight of 186.74 g/mol, XLogP of 1.89, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 136679398 is sourced from PubChem (CID 136679398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).