9H-fluoren-9-yl N,N-dimethylcarbamodithioate

C16H15NS2 — CID 7554721

IUPAC9H-fluoren-9-yl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H15NS2/c1-17(2)16(18)19-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,1-2H3
InChIKeyWGNKCXFHUIUVQL-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.34
Rot. Bonds1

About 9H-fluoren-9-yl N,N-dimethylcarbamodithioate

9H-fluoren-9-yl N,N-dimethylcarbamodithioate (PubChem CID 7554721) has the molecular formula C16H15NS2 and a molecular weight of 285.44 g/mol. Its IUPAC name is 9H-fluoren-9-yl N,N-dimethylcarbamodithioate.

Molecular Properties

Compound Name9H-fluoren-9-yl N,N-dimethylcarbamodithioate
PubChem CID7554721
Molecular FormulaC16H15NS2
Molecular Weight285.44 g/mol
Exact Mass285.06
IUPAC Name9H-fluoren-9-yl N,N-dimethylcarbamodithioate
SMILESCN(C)C(=S)SC1c2ccccc2-c2ccccc21
InChIInChI=1S/C16H15NS2/c1-17(2)16(18)19-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,1-2H3
InChIKeyWGNKCXFHUIUVQL-UHFFFAOYSA-N
XLogP4.34
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
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 9H-fluoren-9-yl N,N-dimethylcarbamodithioate?
The IUPAC name of 9H-fluoren-9-yl N,N-dimethylcarbamodithioate (CID 7554721) is 9H-fluoren-9-yl N,N-dimethylcarbamodithioate.
What is the SMILES notation for 9H-fluoren-9-yl N,N-dimethylcarbamodithioate?
The canonical SMILES for 9H-fluoren-9-yl N,N-dimethylcarbamodithioate is CN(C)C(=S)SC1c2ccccc2-c2ccccc21.
What is the InChIKey of 9H-fluoren-9-yl N,N-dimethylcarbamodithioate?
The InChIKey is WGNKCXFHUIUVQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NS2/c1-17(2)16(18)19-15-13-9-5-3-7-11(13)12-8-4-6-10-14(12)15/h3-10,15H,1-2H3.
What are the key properties of 9H-fluoren-9-yl N,N-dimethylcarbamodithioate?
9H-fluoren-9-yl N,N-dimethylcarbamodithioate has a molecular weight of 285.44 g/mol, XLogP of 4.34, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9H-fluoren-9-yl N,N-dimethylcarbamodithioate is sourced from PubChem (CID 7554721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).