N-Phenyl-2-aminothiazole

CAT: 1596-AR-M05314-01Size: 100 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-M05314-01Size:100 Units

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CAS Number

33142-18-6

Synonyms

2-Thiazolamine, N-phenyl- (9CI, ACI)

Molecular Formula

C9H8N2S

Molecular Weight

176.24

API Name

Miscellaneous

Chemical Information

N-Phenyl-2-aminothiazole

CAS Number	33142-18-6
PubChem CID	12348626
IUPAC Name	N-phenyl-1,3-thiazol-2-amine
Molecular Formula	C9H8N2S
Molecular Weight	176.24
XLogP	2.8
Topological Polar Surface Area	53.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	12
Formal Charge	0
Complexity	134

SMILES

C1=CC=C(C=C1)NC2=NC=CS2

InChI

InChI=1S/C9H8N2S/c1-2-4-8(5-3-1)11-9-10-6-7-12-9/h1-7H,(H,10,11)

InChIKey

OGVGQYZRJXSMGC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 33142-18-6

CID: 12348626

Formula: C9H8N2S

MW: 176.24

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	176.24
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	176.04081944
Monoisotopic Mass	176.04081944
Topological Polar Surface Area	53.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	134
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

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