N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol

C15H17NOS3 — CID 174652487

IUPACN,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol
SMILESCN(C)C=O.Sc1ccccc1Sc1ccccc1S
InChIInChI=1S/C12H10S3.C3H7NO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-4(2)3-5/h1-8,13-14H;3H,1-2H3
InChIKeyRUSCAFGREKPONP-UHFFFAOYSA-N
MW323.51 g/mol
LogP4.12
Rot. Bonds3

About N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol

N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol (PubChem CID 174652487) has the molecular formula C15H17NOS3 and a molecular weight of 323.51 g/mol. Its IUPAC name is N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol.

Molecular Properties

Compound NameN,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol
PubChem CID174652487
Molecular FormulaC15H17NOS3
Molecular Weight323.51 g/mol
Exact Mass323.05
IUPAC NameN,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol
SMILESCN(C)C=O.Sc1ccccc1Sc1ccccc1S
InChIInChI=1S/C12H10S3.C3H7NO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-4(2)3-5/h1-8,13-14H;3H,1-2H3
InChIKeyRUSCAFGREKPONP-UHFFFAOYSA-N
XLogP4.12
TPSA20.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.51
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol?
The IUPAC name of N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol (CID 174652487) is N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol.
What is the SMILES notation for N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol?
The canonical SMILES for N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol is CN(C)C=O.Sc1ccccc1Sc1ccccc1S.
What is the InChIKey of N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol?
The InChIKey is RUSCAFGREKPONP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10S3.C3H7NO/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14;1-4(2)3-5/h1-8,13-14H;3H,1-2H3.
What are the key properties of N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol?
N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol has a molecular weight of 323.51 g/mol, XLogP of 4.12, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethylformamide;2-(2-sulfanylphenyl)sulfanylbenzenethiol is sourced from PubChem (CID 174652487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).