Methiocarb-d3

CAT: 0926-GNC69494-02Size: 10 mgDry Ice: NoHazardous: No

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CAT#:0926-GNC69494-02Size:10 mg

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CAS Number

1581694-94-1

Smiles

CC1=CC (=CC (=C1SC) C) OC (=O) NC

Molecular Formula

C11H15NO2S

Molecular Weight

228.33 g/mol

Controlled

Chemical Information

Methiocarb-d3

CAS Number	1581694-94-1
PubChem CID	117065427
IUPAC Name	(3,5-dimethyl-4-methylsulfanylphenyl) N-(trideuteriomethyl)carbamate
Molecular Formula	C11H15NO2S
Molecular Weight	228.33
XLogP	2.9
Topological Polar Surface Area	63.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	15
Formal Charge	0
Complexity	211

SMILES

[2H]C([2H])([2H])NC(=O)OC1=CC(=C(C(=C1)C)SC)C

InChI

InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)/i3D3

InChIKey

YFBPRJGDJKVWAH-HPRDVNIFSA-N

Chemical Structure

2D Structure

CAS: 1581694-94-1

CID: 117065427

Formula: C11H15NO2S

MW: 228.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	228.33
XLogP3	2.9
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	228.10118013
Monoisotopic Mass	228.10118013
Topological Polar Surface Area	63.6 Å²
Heavy Atom Count	15
Formal Charge	0
Complexity	211
Isotope Atom Count	3
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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