Prothoate

CAT: 0926-CAA27518-01Size: 250 mgDry Ice: NoHazardous: No

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CAT#:0926-CAA27518-01Size:250 mg

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

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CAS Number

2275-18-5

Smiles

CCOP (=S) (OCC) SCC (=O) NC (C) C

Molecular Formula

C9H20NO3PS2

Molecular Weight

285.4 g/mol

Controlled

Chemical Information

Prothoate

Prothoate is an organic thiophosphate.

CAS Number	2275-18-5
PubChem CID	16774
IUPAC Name	2-diethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide
Molecular Formula	C9H20NO3PS2
Molecular Weight	285.4
XLogP	2.5
Topological Polar Surface Area	105
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	16
Formal Charge	0
Complexity	251

SMILES

CCOP(=S)(OCC)SCC(=O)NC(C)C

InChI

InChI=1S/C9H20NO3PS2/c1-5-12-14(15,13-6-2)16-7-9(11)10-8(3)4/h8H,5-7H2,1-4H3,(H,10,11)

InChIKey

QTXHFDHVLBDJIO-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2275-18-5

CID: 16774

Formula: C9H20NO3PS2

MW: 285.4

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	285.4
XLogP3	2.5
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	285.06222284
Monoisotopic Mass	285.06222284
Topological Polar Surface Area	105 Å²
Heavy Atom Count	16
Formal Charge	0
Complexity	251
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
TRC-P838810-1G	Prothoate
463145-01	Prothoate-d7