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

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

[123-43-3]
Sulfoacetic acid
[85-47-2]
1-Naphthalenesulfonic acid
[72799-34-9]
3-(2-Ethoxyphenyl)-2-Thioxoimidazolidin-4-One
[15863-41-9]
4-(Methylthio)phenyl isothiocyanate
[156-57-0]
Cysteamine hydrochloride
[16017-53-1]
1-(4-Chloro-benzenesulfonyl)-piperazine

Triazines

[1219956-23-6]
2,4-Diphenyl-6-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,5-triazine
[4956-05-2]
6-Bromo-1,2,4-triazine-3,5(2H,4H)-dione
[1011371-03-1]
Ethyl (4-oxopyrazolo[1,5-d][1,2,4]triazin-5(4H)-yl)acetate
[52236-30-3]
Metribuzin-desamino-diketo
[56507-37-0]
Metribuzin-diketo
[13705-05-0]
2,4-Dichloro-6-(methylthio)-1,3,5-triazine

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