triphenylgermyl N-methyl-N-phenylcarbamodithioate

C26H23GeNS2 — CID 16689609

IUPACtriphenylgermyl N-methyl-N-phenylcarbamodithioate
SMILESCN(C(=S)S[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23GeNS2/c1-28(25-20-12-5-13-21-25)26(29)30-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-4-11-19-24/h2-21H,1H3
InChIKeyXXUXWMBJMVFDHQ-UHFFFAOYSA-N
MW486.22 g/mol
LogP4.81
Rot. Bonds5

About triphenylgermyl N-methyl-N-phenylcarbamodithioate

triphenylgermyl N-methyl-N-phenylcarbamodithioate (PubChem CID 16689609) has the molecular formula C26H23GeNS2 and a molecular weight of 486.22 g/mol. Its IUPAC name is triphenylgermyl N-methyl-N-phenylcarbamodithioate.

Molecular Properties

Compound Nametriphenylgermyl N-methyl-N-phenylcarbamodithioate
PubChem CID16689609
Molecular FormulaC26H23GeNS2
Molecular Weight486.22 g/mol
Exact Mass487.05
IUPAC Nametriphenylgermyl N-methyl-N-phenylcarbamodithioate
SMILESCN(C(=S)S[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1
InChIInChI=1S/C26H23GeNS2/c1-28(25-20-12-5-13-21-25)26(29)30-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-4-11-19-24/h2-21H,1H3
InChIKeyXXUXWMBJMVFDHQ-UHFFFAOYSA-N
XLogP4.81
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.22
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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CID 16691716
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CID 68882246
formic acid;methyl(phenyl)carbamic acid
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1,3-dimethyl-1-phenyl-3-sulfanylurea
CID 88793984
methyl N-hydroxy-N-phenylcarbamodithioate
CID 134883426
3-N-methyl-1-N,3-N-diphenylbenzene-1,3-dicarboxamide
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4-amino-N-methyl-N-phenylbenzamide
CID 4306081

Frequently Asked Questions

What is the IUPAC name of triphenylgermyl N-methyl-N-phenylcarbamodithioate?
The IUPAC name of triphenylgermyl N-methyl-N-phenylcarbamodithioate (CID 16689609) is triphenylgermyl N-methyl-N-phenylcarbamodithioate.
What is the SMILES notation for triphenylgermyl N-methyl-N-phenylcarbamodithioate?
The canonical SMILES for triphenylgermyl N-methyl-N-phenylcarbamodithioate is CN(C(=S)S[Ge](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.
What is the InChIKey of triphenylgermyl N-methyl-N-phenylcarbamodithioate?
The InChIKey is XXUXWMBJMVFDHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23GeNS2/c1-28(25-20-12-5-13-21-25)26(29)30-27(22-14-6-2-7-15-22,23-16-8-3-9-17-23)24-18-10-4-11-19-24/h2-21H,1H3.
What are the key properties of triphenylgermyl N-methyl-N-phenylcarbamodithioate?
triphenylgermyl N-methyl-N-phenylcarbamodithioate has a molecular weight of 486.22 g/mol, XLogP of 4.81, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for triphenylgermyl N-methyl-N-phenylcarbamodithioate is sourced from PubChem (CID 16689609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).