4,4'-Thiodianiline

C12H12N2S — CID 8765

IUPAC4-(4-aminophenyl)sulfanylaniline
SMILESC1=CC(=CC=C1N)SC2=CC=C(C=C2)N
InChIInChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyICNFHJVPAJKPHW-UHFFFAOYSA-N
MW216.30 g/mol
LogP2.20
Rot. Bonds2

About 4,4'-Thiodianiline

4,4'-Thiodianiline (PubChem CID 8765) has the molecular formula C12H12N2S and a molecular weight of 216.30 g/mol. Its IUPAC name is 4-(4-aminophenyl)sulfanylaniline.

Molecular Properties

Compound Name4,4'-Thiodianiline
PubChem CID8765
Molecular FormulaC12H12N2S
Molecular Weight216.30 g/mol
Exact Mass216.07
IUPAC Name4-(4-aminophenyl)sulfanylaniline
SMILESC1=CC(=CC=C1N)SC2=CC=C(C=C2)N
InChIInChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2
InChIKeyICNFHJVPAJKPHW-UHFFFAOYSA-N
XLogP2.20
TPSA77.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity162

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Dapsone
CID 2955
3,3'-Sulphonyldianiline
CID 11741
Bis(2-aminophenyl) disulfide
CID 14358
4-(Methylthio)aniline
CID 66038
Benzene, 1,1'-thiobis[4-nitro-
CID 14655
1,2-Bis(2-aminophenylthio)ethane
CID 92343
4-((Trifluoromethyl)thio)aniline
CID 123054
Benzenamine, 2-(phenylsulfonyl)-
CID 77956
Dapsone hydroxylamine
CID 65387
4-(p-Nitrophenylthio)aniline
CID 7566
Benzenamine, 3-(methylthio)-
CID 15693
2-(Phenylthio)aniline
CID 365393

Frequently Asked Questions

What is the IUPAC name of 4,4'-Thiodianiline?
The IUPAC name of 4,4'-Thiodianiline (CID 8765) is 4-(4-aminophenyl)sulfanylaniline.
What is the SMILES notation for 4,4'-Thiodianiline?
The canonical SMILES for 4,4'-Thiodianiline is C1=CC(=CC=C1N)SC2=CC=C(C=C2)N.
What is the InChIKey of 4,4'-Thiodianiline?
The InChIKey is ICNFHJVPAJKPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2S/c13-9-1-5-11(6-2-9)15-12-7-3-10(14)4-8-12/h1-8H,13-14H2.
What are the key properties of 4,4'-Thiodianiline?
4,4'-Thiodianiline has a molecular weight of 216.30 g/mol, XLogP of 2.20, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4'-Thiodianiline is sourced from PubChem (CID 8765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).