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3-Methylisothiazol-4-amine

CAT: 0572-TRC-M315008-1GSize: 1 gDry Ice: NoHazardous: No
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CAT#:0572-TRC-M315008-1GSize:1 g
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
53483-97-9
Hazard Statement
No Data Available
Smiles
Cc1nscc1N
Molecular Formula
C4 H6 N2 S
Molecular Weight
114.169
InChI
InChI=1S/C4H6N2S/c1-3-4(5)2-7-6-3/h2H,5H2,1H3
Additionnal Information
IUPAC name: 3-methyl-1,2-thiazol-4-amine
Shipping Conditions
Room Temperature

Chemical Information

3-Methyl-1,2-thiazol-4-amine
CAS Number53483-97-9
PubChem CID13348970
IUPAC Name3-methyl-1,2-thiazol-4-amine
Molecular FormulaC4H6N2S
Molecular Weight114.17
XLogP0.7
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Heavy Atom Count7
Formal Charge0
Complexity66
SMILES
CC1=NSC=C1N
InChI
InChI=1S/C4H6N2S/c1-3-4(5)2-7-6-3/h2H,5H2,1H3
InChIKey
OENNKQQMHQUBLY-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-Methyl-1,2-thiazol-4-amine
CAS: 53483-97-9
CID: 13348970
Formula: C4H6N2S
MW: 114.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight114.17
XLogP30.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count0
Exact Mass114.02516937
Monoisotopic Mass114.02516937
Topological Polar Surface Area67.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity66.7
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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Alternative Products

CatalogName
OR78068-013-Methylisothiazol-4-amine hydrochloride
OR3505053- (4-Methoxyphenyl) -4-methylisothiazol-5-amine
OR1103219-015-Methylisothiazol-3-amine hydrochloride
OR3464614- (3-Methylisothiazol-5-yl) benzaldehyde
RG-A261680-013-Chloro-5-Methylisothiazol-4 (5H) -One
sc-327427Ethyl 4-acetyl-3-methylisothiazol-5-ylcarbamate
sc-3330501- (5-amino-3-methylisothiazol-4-yl) ethanone
OR1029947-012-Methylisothiazol-3 (2H) -One 5-Chloro-2-Methylisothiazol-3 (2H) -One
sc-5000204,5-Dichloro-2-methylisothiazol-3-one-d3
1616024,5-Dichloro-2-methylisothiazol-3-one

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