5-Iodothiazol-2-amine

CAT: 0127-OR450111Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-OR450111Size:1 g

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CAS Number

41731-32-2

MDL Number

MFCD21728666

Purity

=95%

Smiles

Nc1ncc(I)s1

Chemical Information

5-Iodothiazol-2-amine

CAS Number	41731-32-2
PubChem CID	22909966
IUPAC Name	5-iodo-1,3-thiazol-2-amine
Molecular Formula	C3H3IN2S
Molecular Weight	226.04
XLogP	1.3
Topological Polar Surface Area	67.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	70

SMILES

C1=C(SC(=N1)N)I

InChI

InChI=1S/C3H3IN2S/c4-2-1-6-3(5)7-2/h1H,(H2,5,6)

InChIKey

VPSCGJGRBNAUIQ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 41731-32-2

CID: 22909966

Formula: C3H3IN2S

MW: 226.04

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	226.04
XLogP3	1.3
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	0
Exact Mass	225.90617
Monoisotopic Mass	225.90617
Topological Polar Surface Area	67.2 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	70
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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