CID 88917800

C9H8NSSi — CID 88917800

IUPAC—
SMILESCc1cccc(CN=C=S)c1[Si]
InChIInChI=1S/C9H8NSSi/c1-7-3-2-4-8(9(7)12)5-10-6-11/h2-4H,5H2,1H3
InChIKeyHENHQMFCZICOOB-UHFFFAOYSA-N
MW190.32 g/mol
LogP1.39
Rot. Bonds2

About CID 88917800

CID 88917800 (PubChem CID 88917800) has the molecular formula C9H8NSSi and a molecular weight of 190.32 g/mol.

Molecular Properties

Compound NameCID 88917800
PubChem CID88917800
Molecular FormulaC9H8NSSi
Molecular Weight190.32 g/mol
Exact Mass190.01
IUPAC Name—
SMILESCc1cccc(CN=C=S)c1[Si]
InChIInChI=1S/C9H8NSSi/c1-7-3-2-4-8(9(7)12)5-10-6-11/h2-4H,5H2,1H3
InChIKeyHENHQMFCZICOOB-UHFFFAOYSA-N
XLogP1.39
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.32
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1-bromo-3-(isothiocyanatomethyl)-2-methylbenzene
CID 130065350
1-ethyl-2-(isothiocyanatomethyl)benzene
CID 59147998
isothiocyanatomethylbenzene;1,2-xylene
CID 175269253
2-chloro-1-(isocyanatomethyl)-3-methylbenzene
CID 117278986
2-(isothiocyanatomethyl)benzaldehyde
CID 87933910
1-(isothiocyanatomethyl)-2-methoxybenzene;methane;(2-methoxyphenyl)methanamine
CID 158339606
2-(isocyanatomethyl)-1,3-dimethylbenzene
CID 13257749
1-bromo-3-(isocyanatomethyl)-2-methylbenzene
CID 117324681
N-[[2-(2,2-diphenylethenylideneamino)-3-methylphenyl]methyl]-2,2-diphenylethenimine
CID 16742863
CID 174709781
CID 174709781
7-(isocyanatomethyl)-3-methyl-1-benzofuran
CID 117280756
1-(bromomethyl)-5-methylnaphthalene
CID 15657418

Frequently Asked Questions

What is the IUPAC name of CID 88917800?
The IUPAC name of CID 88917800 (CID 88917800) is not available.
What is the SMILES notation for CID 88917800?
The canonical SMILES for CID 88917800 is Cc1cccc(CN=C=S)c1[Si].
What is the InChIKey of CID 88917800?
The InChIKey is HENHQMFCZICOOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8NSSi/c1-7-3-2-4-8(9(7)12)5-10-6-11/h2-4H,5H2,1H3.
What are the key properties of CID 88917800?
CID 88917800 has a molecular weight of 190.32 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 88917800 is sourced from PubChem (CID 88917800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).