4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine

C14H16N2S — CID 91880178

IUPAC4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine
SMILESCCc1ccc(Sc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C14H16N2S/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h3-9H,2,15-16H2,1H3
InChIKeyVXUFEOLGGSHBLW-UHFFFAOYSA-N
MW244.36 g/mol
LogP3.56
Rot. Bonds3

About 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine

4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine (PubChem CID 91880178) has the molecular formula C14H16N2S and a molecular weight of 244.36 g/mol. Its IUPAC name is 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine.

Molecular Properties

Compound Name4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine
PubChem CID91880178
Molecular FormulaC14H16N2S
Molecular Weight244.36 g/mol
Exact Mass244.10
IUPAC Name4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine
SMILESCCc1ccc(Sc2ccc(N)c(N)c2)cc1
InChIInChI=1S/C14H16N2S/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h3-9H,2,15-16H2,1H3
InChIKeyVXUFEOLGGSHBLW-UHFFFAOYSA-N
XLogP3.56
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.36
LogP ≤ 53.56
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

2-amino-5-(4-ethylphenyl)sulfanylbenzoic acid
CID 91880175
4-(4-aminophenyl)sulfanylbenzene-1,2-diamine
CID 10130826
1,2-dibromo-4-(4-ethylphenyl)sulfanylbenzene
CID 91877723
2-[4-(3-amino-4-ethylphenyl)sulfanylphenyl]acetic acid
CID 91879347
4-(4-ethylphenyl)sulfanyl-3-iodoaniline
CID 91880194
5-chloro-2-(4-ethylphenyl)sulfanylaniline
CID 91877108
2-amino-4-(4-butylphenyl)sulfanylphenol
CID 70535162
4-(4-bromophenyl)sulfanyl-2-ethylaniline
CID 91877338
4-(3,4-difluorophenyl)sulfanylbenzene-1,2-diamine
CID 106748746
4-propylsulfanylbenzene-1,2-diamine
CID 3017084
4-(4-ethylphenyl)sulfanyl-2-iodo-1-methoxybenzene
CID 91879120
5-ethyl-2-(4-iodophenyl)sulfanylaniline
CID 91878146

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine?
The IUPAC name of 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine (CID 91880178) is 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine.
What is the SMILES notation for 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine?
The canonical SMILES for 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine is CCc1ccc(Sc2ccc(N)c(N)c2)cc1.
What is the InChIKey of 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine?
The InChIKey is VXUFEOLGGSHBLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2S/c1-2-10-3-5-11(6-4-10)17-12-7-8-13(15)14(16)9-12/h3-9H,2,15-16H2,1H3.
What are the key properties of 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine?
4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine has a molecular weight of 244.36 g/mol, XLogP of 3.56, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylphenyl)sulfanylbenzene-1,2-diamine is sourced from PubChem (CID 91880178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).