cyanomethyl N,N-diphenylcarbamodithioate

C15H12N2S2 — CID 97046814

IUPACcyanomethyl N,N-diphenylcarbamodithioate
SMILESN#CCSC(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2S2/c16-11-12-19-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
InChIKeyMYKFCCXEAFCDMK-UHFFFAOYSA-N
MW284.41 g/mol
LogP4.37
Rot. Bonds3

About cyanomethyl N,N-diphenylcarbamodithioate

cyanomethyl N,N-diphenylcarbamodithioate (PubChem CID 97046814) has the molecular formula C15H12N2S2 and a molecular weight of 284.41 g/mol. Its IUPAC name is cyanomethyl N,N-diphenylcarbamodithioate.

Molecular Properties

Compound Namecyanomethyl N,N-diphenylcarbamodithioate
PubChem CID97046814
Molecular FormulaC15H12N2S2
Molecular Weight284.41 g/mol
Exact Mass284.04
IUPAC Namecyanomethyl N,N-diphenylcarbamodithioate
SMILESN#CCSC(=S)N(c1ccccc1)c1ccccc1
InChIInChI=1S/C15H12N2S2/c16-11-12-19-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2
InChIKeyMYKFCCXEAFCDMK-UHFFFAOYSA-N
XLogP4.37
TPSA27.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.41
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 cyanomethyl N,N-diphenylcarbamodithioate?
The IUPAC name of cyanomethyl N,N-diphenylcarbamodithioate (CID 97046814) is cyanomethyl N,N-diphenylcarbamodithioate.
What is the SMILES notation for cyanomethyl N,N-diphenylcarbamodithioate?
The canonical SMILES for cyanomethyl N,N-diphenylcarbamodithioate is N#CCSC(=S)N(c1ccccc1)c1ccccc1.
What is the InChIKey of cyanomethyl N,N-diphenylcarbamodithioate?
The InChIKey is MYKFCCXEAFCDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2S2/c16-11-12-19-15(18)17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10H,12H2.
What are the key properties of cyanomethyl N,N-diphenylcarbamodithioate?
cyanomethyl N,N-diphenylcarbamodithioate has a molecular weight of 284.41 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyanomethyl N,N-diphenylcarbamodithioate is sourced from PubChem (CID 97046814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).