3,5-Dimethoxy-1,2-thiazole

CAT: 0926-UEA22468-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0926-UEA22468-01Size:50 mg

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CAS Number

119224-68-9

MDL Number

MFCD31433971

Smiles

COC1=CC (=NS1) OC

Molecular Formula

C5H7NO2S

Molecular Weight

145.2 g/mol

Controlled

Chemical Information

3,5-Dimethoxy-1,2-thiazole

CAS Number	119224-68-9
PubChem CID	14224551
IUPAC Name	3,5-dimethoxy-1,2-thiazole
Molecular Formula	C5H7NO2S
Molecular Weight	145.18
XLogP	1.6
Topological Polar Surface Area	59.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	9
Formal Charge	0
Complexity	91

SMILES

COC1=CC(=NS1)OC

InChI

InChI=1S/C5H7NO2S/c1-7-4-3-5(8-2)9-6-4/h3H,1-2H3

InChIKey

OFZINOXTIHFJEF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 119224-68-9

CID: 14224551

Formula: C5H7NO2S

MW: 145.18

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	145.18
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	145.01974964
Monoisotopic Mass	145.01974964
Topological Polar Surface Area	59.6 Å²
Heavy Atom Count	9
Formal Charge	0
Complexity	91
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

Catalog	Name
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