methyl N,N-dibenzylcarbamodithioate

C16H17NS2 — CID 22981828

IUPACmethyl N,N-dibenzylcarbamodithioate
SMILESCSC(=S)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17NS2/c1-19-16(18)17(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyRPJIUVOCMCDLHA-UHFFFAOYSA-N
MW287.45 g/mol
LogP4.34
Rot. Bonds4

About methyl N,N-dibenzylcarbamodithioate

methyl N,N-dibenzylcarbamodithioate (PubChem CID 22981828) has the molecular formula C16H17NS2 and a molecular weight of 287.45 g/mol. Its IUPAC name is methyl N,N-dibenzylcarbamodithioate.

Molecular Properties

Compound Namemethyl N,N-dibenzylcarbamodithioate
PubChem CID22981828
Molecular FormulaC16H17NS2
Molecular Weight287.45 g/mol
Exact Mass287.08
IUPAC Namemethyl N,N-dibenzylcarbamodithioate
SMILESCSC(=S)N(Cc1ccccc1)Cc1ccccc1
InChIInChI=1S/C16H17NS2/c1-19-16(18)17(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3
InChIKeyRPJIUVOCMCDLHA-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of methyl N,N-dibenzylcarbamodithioate?
The IUPAC name of methyl N,N-dibenzylcarbamodithioate (CID 22981828) is methyl N,N-dibenzylcarbamodithioate.
What is the SMILES notation for methyl N,N-dibenzylcarbamodithioate?
The canonical SMILES for methyl N,N-dibenzylcarbamodithioate is CSC(=S)N(Cc1ccccc1)Cc1ccccc1.
What is the InChIKey of methyl N,N-dibenzylcarbamodithioate?
The InChIKey is RPJIUVOCMCDLHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NS2/c1-19-16(18)17(12-14-8-4-2-5-9-14)13-15-10-6-3-7-11-15/h2-11H,12-13H2,1H3.
What are the key properties of methyl N,N-dibenzylcarbamodithioate?
methyl N,N-dibenzylcarbamodithioate has a molecular weight of 287.45 g/mol, XLogP of 4.34, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-dibenzylcarbamodithioate is sourced from PubChem (CID 22981828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).