(E) -2-Methyl-5- (2-nitrovinyl) thiazole

CAT: 0127-OR79221-01Size: 50 mgDry Ice: NoHazardous: No

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CAT#:0127-OR79221-01Size:50 mg

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CAS Number

1562586-99-5

MDL Number

MFCD21293974

Purity

95%

Smiles

O=[N+](/C=C/C1=CN=C(C)S1)[O-]

Chemical Information

(E)-2-Methyl-5-(2-nitrovinyl)thiazole

CAS Number	1562586-99-5
PubChem CID	65723951
IUPAC Name	2-methyl-5-[(E)-2-nitroethenyl]-1,3-thiazole
Molecular Formula	C6H6N2O2S
Molecular Weight	170.19
XLogP	1.6
Topological Polar Surface Area	87
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	178

SMILES

CC1=NC=C(S1)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C6H6N2O2S/c1-5-7-4-6(11-5)2-3-8(9)10/h2-4H,1H3/b3-2+

InChIKey

QRHIEOMRLINTLL-NSCUHMNNSA-N

Chemical Structure

2D Structure

CAS: 1562586-99-5

CID: 65723951

Formula: C6H6N2O2S

MW: 170.19

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	170.19
XLogP3	1.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	1
Exact Mass	170.01499861
Monoisotopic Mass	170.01499861
Topological Polar Surface Area	87 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	178
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	1
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR76595-01	(E) -2- (2-Nitrovinyl) Thiazole
OR91758-01	(E) -3-Methyl-2- (2-nitrovinyl) thiophene
OR75043-01	(E) -1-Methyl-4- (2-nitrovinyl) benzene
OR1034395-01	(E) -1-Methyl-4- (2-nitrovinyl) -1H-pyrazole
OR1045555-01	(E) -4- (2-Nitrovinyl) pyridine
OR87652-01	(E) -3- (2-Nitrovinyl) furan
OR1087466-01	5-Methyl-2- (methylthio) thiazole
OR1086827-01	2-Methyl-5- (trimethylsilyl) thiazole
OR1033701-01	(E) -2- (2-Nitrovinyl) benzo[b]thiophene
OR26919-01	2-Methoxy-4-[ (E) -2-nitrovinyl]phenol

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CAA94166	2-Methyl-5-nitrobenzo[d]thiazole
FM170802	4-Methyl-5- (2-phosphorylethyl) thiazole
FSD25203-01	5- (2,2-Dimethoxyethyl) -2-methyl-1,3-thiazole
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