Back to Search

2-Aminothiazole

CAS: 96-50-4 | C3H4N2S

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 96-50-4
Molecular Formula: C3H4N2S
Molecular Weight: 100.14600000000002 g/mol

Names and Synonyms:

2-Aminothiazole
1,3-Thiazol-2-amine
NSC 1900
2-Amino-1,3-thiazole
2-Thiazolylamine
Basedol
2-Aminothiazole
Aminothiazole
Abadole
Abadol
4-Thiazoline, 2-imino-
Thiazole, 2-amino-
2-Thiazolamine

Identifiers:

SMILES:
N=c1[nH]ccs1
InChI:
InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5)

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Molecular

Property Value Source
Molecular Weight 100.14600000000002 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 100.009519128 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 6 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 2 count RDKit
Hydrogen Bond Donors 2 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 0 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 39.64 Ų RDKit

Physical Properties

Property Value Source
LogP 0.5556700000000001 RDKit
molecular_mass 100.15 g/mol Legacy Database
wikipedia_url https://en.wikipedia.org/wiki/2-Aminothiazole None Legacy Database
cas-boiling-point 140 °C @ Press: 12 Torr None Legacy Database
cas-canonical-smile N=1C=CSC1N None Legacy Database
cas-inchi InChI=1S/C3H4N2S/c4-3-5-1-2-6-3/h1-2H,(H2,4,5) None Legacy Database
cas-inchi-key InChIKey=RAIPHJJURHTUIC-UHFFFAOYSA-N None Legacy Database
cas-melting-point 93 °C None Legacy Database
cas-name 2-Aminothiazole None Legacy Database
wikipedia-name 2-Aminothiazole None Legacy Database

Molar

Property Value Source
Molar Refractivity 24.5244 RDKit

Recent Searches

Acetone
Ethanol
Navigate
esc Close