5-Methyl-2,1,3-benzothiadiazol-4-amine - CAS 3338-93-0

Catalog:	BB021691
Product Name:	5-Methyl-2,1,3-benzothiadiazol-4-amine
CAS:	3338-93-0
Synonyms:	5-methyl-2,1,3-benzothiadiazol-4-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	5-methyl-2,1,3-benzothiadiazol-4-amine
Description:	5-Methyl-2,1,3-benzothiadiazol-4-amine (CAS# 3338-93-0) is a useful research chemical.
Molecular Weight:	165.22
Molecular Formula:	C7H7N3S
Canonical SMILES:	CC1=C(C2=NSN=C2C=C1)N
InChI:	InChI=1S/C7H7N3S/c1-4-2-3-5-7(6(4)8)10-11-9-5/h2-3H,8H2,1H3
InChI Key:	HREWQZHLWPVDGL-UHFFFAOYSA-N
Boiling Point:	310.8 °C at 760 mmHg
Density:	1.399 g/cm³
MDL:	MFCD00185827
LogP:	2.16310

Publication Number	Title	Priority Date
CS-202052-B2	Process for preparing new 4-/2-imidazolin-2-yl-amino/-2,1,3-benzothiadiazoles	19720509
IL-42231-A	4-(2-imidazolin-2-ylamino)-2,1,3-benzothiadiazole derivatives their production and pharmaceutical compositions containing them	19720509
SU-416359-A1	Method of obtaining 5-methyl-4,7-dioxobenz-2,1,3-tiadiazole	19711123
US-3481683-A	4-benzothiazoyl and 4-benzothiadiazoyl azo dyed polyolefin articles and fibers and their dyeing	19640720

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Related Functional Groups

Oxadiazole/Thiadiazole

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P312, P330, and P501
Signal Word:	Warning

Complexity:	153
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.03606841
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.03606841
Rotatable Bond Count:	0
Topological Polar Surface Area:	80 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5