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

[2006276-82-8]
[3-(N,N-Dimethylsulfamoyl)phenyl]methanesulfonyl Chloride
[1866059-82-6]
1,1,2,2-Tetrafluoro-3-methylsulfonylpropane
[71996-48-0]
1-Methyl-2-[(phenylsulfonyl)methyl]benzene
[2039-96-5]
3-(Trimethylsilyl)-1-propanesulfonic acid sodium salt
[21124-33-4]
Ammonium diethyldithiocarbamate
[60-23-1]
Cysteamine

Triazines

[1919-48-8]
2,4,6-Triphenoxy-1,3,5-triazine
[1211518-11-4]
4-chloro-6-(trifluoromethyl)-1,3,5-triazin-2-amine
[35045-02-4]
Metribuzin-desamino
[52236-30-3]
Metribuzin-desamino-diketo
[56507-37-0]
Metribuzin-diketo
[61799-46-0]
N-(2-Hydroxyethyl)ammelide

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