2-Amino-4-(3,4-dichlorophenyl)thiazole - CAS 39893-80-6

Catalog:	BB024189
Product Name:	2-Amino-4-(3,4-dichlorophenyl)thiazole
CAS:	39893-80-6
Synonyms:	4-(3,4-dichlorophenyl)-2-thiazolamine; 4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-(3,4-dichlorophenyl)-1,3-thiazol-2-amine
Description:	2-Amino-4-(3,4-dichlorophenyl)thiazole (CAS# 39893-80-6) is a useful research chemical.
Molecular Weight:	245.13
Molecular Formula:	C9H6Cl2N2S
Canonical SMILES:	C1=CC(=C(C=C1C2=CSC(=N2)N)Cl)Cl
InChI:	InChI=1S/C9H6Cl2N2S/c10-6-2-1-5(3-7(6)11)8-4-14-9(12)13-8/h1-4H,(H2,12,13)
InChI Key:	UWAXMUSNRIUHRQ-UHFFFAOYSA-N
Boiling Point:	420.7 °C at 760 mmHg
Density:	1.498 g/cm³
MDL:	MFCD00466323
LogP:	4.28030

Publication Number	Title	Priority Date
CN-108640835-A	A kind of method that organic catalysis prepares triacetyl glycerine	20180423
CN-108640835-B	Method for preparing glycerol triacetate through organic catalysis	20180423
EP-3556756-A1	Substituted propanamides as inhibitors of nucleases	20180417
WO-2019201867-A1	Substituted propanamides as inhibitors of nucleases	20180417
AU-2019256672-A1	Substituted propanamides as inhibitors of nucleases	20180417

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Related Functional Groups

Amines and Anilines

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GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/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

Complexity:	205
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	243.9628748
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	243.9628748
Rotatable Bond Count:	1
Topological Polar Surface Area:	67.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5