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

Name: 5-Methyl-2,1,3-benzothiadiazol-4-amine
Brand: BOC Sciences
Rating: 5 (1 reviews)

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

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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

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Related Functional Groups

Oxadiazole/Thiadiazole

[938459-06-4]C7H13N3O
1-(5-Isopropyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
[261626-93-1]C9H8N2O3S
Ethyl 3-(2-thienyl)-1,2,4-oxadiazole-5-carboxylate
[73185-75-8]C11H9N3O5
Ethyl 3-(3-nitrophenyl)-1,2,4-oxadiazole-5-carboxylate
[163719-81-1]C11H9FN2O3
Ethyl 3-(4-fluorophenyl)-1,2,4-oxadiazole-5-carboxylate
[478030-57-8]C12H9F3N2O3
Ethyl 3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole-5-carboxylate
[1018125-29-5]C8H10N2O3
Ethyl 3-cyclopropyl-1,2,4-oxadiazole-5-carboxylate

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

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

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