PTH-norvaline

CAT: 0024-sc-236509Size: 100 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-236509Size:100 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

66703-27-3

Chemical Information

PTH-norvaline

CAS Number	66703-27-3
PubChem CID	2872311
IUPAC Name	3-phenyl-5-propyl-2-sulfanylideneimidazolidin-4-one
Molecular Formula	C12H14N2OS
Molecular Weight	234.32
XLogP	2.6
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	16
Formal Charge	0
Complexity	287

SMILES

CCCC1C(=O)N(C(=S)N1)C2=CC=CC=C2

InChI

InChI=1S/C12H14N2OS/c1-2-6-10-11(15)14(12(16)13-10)9-7-4-3-5-8-9/h3-5,7-8,10H,2,6H2,1H3,(H,13,16)

InChIKey

ZUNXHUPAUYHHBT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 66703-27-3

CID: 2872311

Formula: C12H14N2OS

MW: 234.32

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	234.32
XLogP3	2.6
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	234.08268425
Monoisotopic Mass	234.08268425
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	287
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	1
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes