3-Methylthio-1,2,4-triazine

CAT: 0127-OR961054-01Size: 5 gDry Ice: NoHazardous: No

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CAT#:0127-OR961054-01Size:5 g

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CAS Number

28735-21-9

MDL Number

MFCD00490024

Purity

97%

Smiles

CSc1nccnn1

Chemical Information

3-Methylthio-1,2,4-triazine

CAS Number	28735-21-9
PubChem CID	321839
IUPAC Name	3-methylsulfanyl-1,2,4-triazine
Molecular Formula	C4H5N3S
Molecular Weight	127.17
XLogP	0
Topological Polar Surface Area	64
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	8
Formal Charge	0
Complexity	68

SMILES

CSC1=NC=CN=N1

InChI

InChI=1S/C4H5N3S/c1-8-4-5-2-3-6-7-4/h2-3H,1H3

InChIKey

NFHGWQLAJYTULJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 28735-21-9

CID: 321839

Formula: C4H5N3S

MW: 127.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	127.17
XLogP3	0
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	127.02041835
Monoisotopic Mass	127.02041835
Topological Polar Surface Area	64 Å²
Heavy Atom Count	8
Formal Charge	0
Complexity	68.3
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1077893	3- (Methylthio) -5-phenyl-1,2,4-triazine
OR930794-01	2,4-Dichloro-6- (methylthio) -1,3,5-triazine
OR14405	2,4,6-Tris (methylthio) -1,3,5-triazine
OR24978	2-chloro-4- (4-chlorophenyl) -6- (methylthio) -1,3,5-triazine
OR27358	2-Amino-4-methoxy-6- (methylthio) -1,3,5-triazine
OR27306-01	2-Amino-4-isopropyl-6- (methylthio) -1,3,5-triazine
OR3406	2-Amino-4- (methylthio) -6- (2-pyrazinyl) -1,3,5-triazine
OR1021676	4-Chloro-2- (methylthio) pyrrolo[1,2-f][1,2,4]triazine
OR1021832	5-Methyl-4- (methylthio) pyrrolo[1,2-f][1,2,4]triazine
OR1045516-01	7-Bromo-2- (methylthio) pyrrolo[2,1-f][1,2,4]triazine

Catalog	Name
sc-482219	3-Methylthio-1,2,4-triazine
AR-A01879-01	6- (Methylthio) -1,3,5-triazine-2,4-diamine
sc-260282A	2,4,6-Tris (methylthio) -1,3,5-triazine
TRC-C360465-1G	4-Chloro-2-(methylthio)imidazo[1,2-a][1,3,5]triazine
sc-265376	2-Amino-4-methoxy-6- (methylthio) -1,3,5-triazine
A25000-01	2-Amino-4-methylthio-6- (1-morpholino) -s-triazine
abx185426	Ethyl 5-Hydroxy-3-(Methylthio)-1,2,4-Triazine-6-Carboxylate
sc-396190	1-Ethyl-1,2,3,6-tetrahydro-4- (methylthio) -1,3,5-triazine Hydroiodide
sc-396367	1-Benzyl-1,2,3,6-tetrahydro-4- (methylthio) -1,3,5-triazine Hydroiodide
MBS6028486-01	Irgarol (N-Cyclopropyl-N'-(1,1-dimethylethyl)-6-(methylthio)-1,3,5-triazine-2,4-diamine, 2-(tert-Butylamino)-4-(cyclopropylamino)-6-(methylthio)-s-triazine)