methyl N,N-diphenylcarbamodithioate

C14H13NS2 — CID 2356886

IUPACmethyl N,N-diphenylcarbamodithioate
SMILESCSC(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NS2/c1-17-14(16)15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyBDDKTBSTHXXSPK-UHFFFAOYSA-N
MW259.40 g/mol
LogP4.47
Rot. Bonds2

About methyl N,N-diphenylcarbamodithioate

methyl N,N-diphenylcarbamodithioate (PubChem CID 2356886) has the molecular formula C14H13NS2 and a molecular weight of 259.40 g/mol. Its IUPAC name is methyl N,N-diphenylcarbamodithioate.

Molecular Properties

Compound Namemethyl N,N-diphenylcarbamodithioate
PubChem CID2356886
Molecular FormulaC14H13NS2
Molecular Weight259.40 g/mol
Exact Mass259.05
IUPAC Namemethyl N,N-diphenylcarbamodithioate
SMILESCSC(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C14H13NS2/c1-17-14(16)15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3
InChIKeyBDDKTBSTHXXSPK-UHFFFAOYSA-N
XLogP4.47
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 54.47
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-diphenylcarbamodithioate?
The IUPAC name of methyl N,N-diphenylcarbamodithioate (CID 2356886) is methyl N,N-diphenylcarbamodithioate.
What is the SMILES notation for methyl N,N-diphenylcarbamodithioate?
The canonical SMILES for methyl N,N-diphenylcarbamodithioate is CSC(=S)N(c1ccccc1)c1ccccc1.
What is the InChIKey of methyl N,N-diphenylcarbamodithioate?
The InChIKey is BDDKTBSTHXXSPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NS2/c1-17-14(16)15(12-8-4-2-5-9-12)13-10-6-3-7-11-13/h2-11H,1H3.
What are the key properties of methyl N,N-diphenylcarbamodithioate?
methyl N,N-diphenylcarbamodithioate has a molecular weight of 259.40 g/mol, XLogP of 4.47, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N,N-diphenylcarbamodithioate is sourced from PubChem (CID 2356886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).