3-(Methylthio)-1,2,4-triazine - CAS 28735-21-9

Name: 3-(Methylthio)-1,2,4-triazine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB043931
Product Name:	3-(Methylthio)-1,2,4-triazine
CAS:	28735-21-9
Synonyms:	3-(Methylthio)-as-Triazine; 1,2,4-Triazine, 3-(methylthio)-

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-methylsulfanyl-1,2,4-triazine
Description:	3-(Methylthio)-1,2,4-triazine (CAS# 28735-21-9 ) is a useful research chemical.
Molecular Weight:	127.17
Molecular Formula:	C4H5N3S
Canonical SMILES:	CSC1=NC=CN=N1
InChI:	InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3
InChI Key:	NFHGWQLAJYTULJ-UHFFFAOYSA-N
Purity:	97 %
MDL:	MFCD00490024

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Related Functional Groups

Sulfur Compounds

[85-47-2]C10H8O3S
1-Naphthalenesulfonic acid
[104496-91-5]C7H9N3OS
2-(Pyridin-2-ylthio)acetohydrazide
[2039-96-5]C6H15NaO3SSi
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[1778-09-2]C9H10OS
4'-(Methylthio)acetophenone
[21124-33-4]C5H14N2S2
Ammonium diethyldithiocarbamate
[828291-81-2]C17H16BrN3OS
5-(3-((2-Bromophenoxy)methyl)phenyl)-4-ethyl-4H-1,2,4-triazole-3-thiol

Triazines

[1919-48-8]C21H15N3O3
2,4,6-Triphenoxy-1,3,5-triazine
[1211518-11-4]C4H2ClF3N4
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[35045-02-4]C8H13N3OS
Metribuzin-desamino
[30360-19-1]C10H20N6
N,N'-Diethyl-N''-isopropyl-1,3,5-triazine-2,4,6-triamine
[13704-43-3]C5H8N4O2
N,N-Dimethylammelide
[1861769-64-3]C12H12Cl2N4O
N-[2-(Benzyloxy)ethyl]-4,6-dichloro-1,3,5-triazin-2-amine

GHS Hazard Statement:	H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]; H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	68.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	127.02041835
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	127.02041835
Rotatable Bond Count:	1
Topological Polar Surface Area:	64
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0