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Thiazol-4-ylmethanamine

CAT: 0127-OR1102544-01Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0127-OR1102544-01Size:100 mg
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CAS Number
16188-30-0
MDL Number
MFCD06797207
Purity
95%
Smiles
NCC1=CSC=N1

Chemical Information

1,3-Thiazol-4-ylmethanamine
CAS Number16188-30-0
PubChem CID15063652
IUPAC Name1,3-thiazol-4-ylmethanamine
Molecular FormulaC4H6N2S
Molecular Weight114.17
XLogP-0.2
Topological Polar Surface Area67.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Heavy Atom Count7
Formal Charge0
Complexity57
SMILES
C1=C(N=CS1)CN
InChI
InChI=1S/C4H6N2S/c5-1-4-2-7-3-6-4/h2-3H,1,5H2
InChIKey
YFEQTUUFQKDATK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 1,3-Thiazol-4-ylmethanamine
CAS: 16188-30-0
CID: 15063652
Formula: C4H6N2S
MW: 114.17
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight114.17
XLogP3-0.2
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count3
Rotatable Bond Count1
Exact Mass114.02516937
Monoisotopic Mass114.02516937
Topological Polar Surface Area67.2 Ų
Heavy Atom Count7
Formal Charge0
Complexity57.7
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