Boc-L-Met-CHN2

CAT: 0024-sc-293857Size: 1 gDry Ice: NoHazardous: No

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CAT#:0024-sc-293857Size:1 g

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CAS Number

173472-42-9

Chemical Information

(S)-3-Boc-amino-1-diazo-5-methylthio-2-pentanone

CAS Number	173472-42-9
PubChem CID	98617258
IUPAC Name	tert-butyl N-[(3S)-1-diazo-5-methylsulfanyl-2-oxopentan-3-yl]carbamate
Molecular Formula	C11H19N3O3S
Molecular Weight	273.35
XLogP	1.7
Topological Polar Surface Area	82.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	18
Formal Charge	0
Complexity	346

SMILES

CC(C)(C)OC(=O)N[C@@H](CCSC)C(=O)C=[N+]=[N-]

InChI

InChI=1S/C11H19N3O3S/c1-11(2,3)17-10(16)14-8(5-6-18-4)9(15)7-13-12/h7-8H,5-6H2,1-4H3,(H,14,16)/t8-/m0/s1

InChIKey

XNGHBTCJCONBSA-QMMMGPOBSA-N

Chemical Structure

2D Structure

CAS: 173472-42-9

CID: 98617258

Formula: C11H19N3O3S

MW: 273.35

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	273.35
XLogP3	1.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	273.11471265
Monoisotopic Mass	273.11471265
Topological Polar Surface Area	82.7 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	346
Isotope Atom Count	0
Defined Atom Stereocenter Count	1
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	1
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes