2,2'-Diaminophenylsulfide

Product Information

Molecular Formula:
C12H12N2S
Molecular Weight:
216.30
Description
2,2'-Diaminophenylsulfide (CAS# 5873-51-8) is used in manufacturing method of self-healing polyimide-urea copolymer having good electric insulation and heat resistance.
Synonyms
2-(2-aminophenyl)sulfanylaniline
IUPAC Name
2-(2-aminophenyl)sulfanylaniline
Canonical SMILES
C1=CC=C(C(=C1)N)SC2=CC=CC=C2N
InChI
InChI=1S/C12H12N2S/c13-9-5-1-3-7-11(9)15-12-8-4-2-6-10(12)14/h1-8H,13-14H2
InChI Key
WRRQKFXVKRQPDB-UHFFFAOYSA-N
Boiling Point
161-162 ℃ (Press: 1 Torr)
Melting Point
85-88 ℃ (lit.)
Purity
> 98.0 % (T) (HPLC)
Density
1.26 g/cm3
Appearance
Off-white crystalline powder
LogP
4.16460

Safety Information

Hazards
H315:
Causes skin irritation.
H319:
Causes serious eye irritation.
Precautionary Statement
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word
Warning

Computed Properties

XLogP3
2.6
Hydrogen Bond Donor Count
2
Hydrogen Bond Acceptor Count
3
Rotatable Bond Count
2
Exact Mass
216.07211956 g/mol
Monoisotopic Mass
216.07211956 g/mol
Topological Polar Surface Area
77.3Ų
Heavy Atom Count
15
Formal Charge
0
Complexity
178
Isotope Atom Count
0
Defined Atom Stereocenter Count
0
Undefined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
Undefined Bond Stereocenter Count
0
Covalently-Bonded Unit Count
1
Compound Is Canonicalized
Yes

Patents

Publication Number Title Priority Date
CN-113999149-A Preparation method for synthesizing diaryl thioether compound based on L-cysteine 2021-11-15
CN-113831493-A Self-repairing polyurethane elastomer containing six-fold intermolecular hydrogen bonds and preparation method thereof 2021-09-27
CN-113583242-A Preparation method of polyimide film 2021-08-05
CN-113224319-A Preparation method of nitrogen-sulfur co-doped carbon-coated transition metal nano sulfide electrochemical oxygen catalyst 2021-03-31
CN-112297468-A Prepolymer and polyurethane seamless track for shot blasting machine and production process thereof 2020-10-13
CN-112297468-B Prepolymer and polyurethane seamless track for shot blasting machine and production process thereof 2020-10-13
JP-2022035605-A A composition containing polyimide or a precursor thereof and a cured product thereof, a polyimide film containing a cured product, a laminate containing a polyimide film, and a device including the laminate. 2020-08-21
WO-2022039573-A1 Composition comprising polyimide or precursor thereof, cured product thereof, polyimide film comprising cured product, laminate provided with polyimide film, and device provided with laminate 2020-08-21
TW-M607367-U A sampling face mask 2020-08-03
JP-2022026476-A Epoxy resin compositions, prepregs and fiber reinforced composites 2020-07-31
The molarity calculator equation

Mass (g) = Concentration (mol/L) × Volume (L) × Molecular Weight (g/mol)

The dilution calculator equation

Concentration (start) × Volume (start) = Concentration (final) × Volume (final)

This equation is commonly abbreviated as: C1V1 = C2V2

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