Sophamide

CAT: 0926-MBA03215-02Size: 10 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-MBA03215-02Size:10 mg

Selected

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

Quick Request Actions

CAS Number

37032-15-8

Smiles

COCNC (=O) CSP (=S) (OC) OC

Molecular Formula

C6H14NO4PS2

Molecular Weight

259.3 g/mol

Controlled

Chemical Information

Sophamide

CAS Number	37032-15-8
PubChem CID	216064
IUPAC Name	2-dimethoxyphosphinothioylsulfanyl-N-(methoxymethyl)acetamide
Molecular Formula	C6H14NO4PS2
Molecular Weight	259.3
XLogP	0.7
Topological Polar Surface Area	114
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Heavy Atom Count	14
Formal Charge	0
Complexity	218

SMILES

COCNC(=O)CSP(=S)(OC)OC

InChI

InChI=1S/C6H14NO4PS2/c1-9-5-7-6(8)4-14-12(13,10-2)11-3/h4-5H2,1-3H3,(H,7,8)

InChIKey

FCUBTKFQDYNIIC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 37032-15-8

CID: 216064

Formula: C6H14NO4PS2

MW: 259.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	259.3
XLogP3	0.7
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	6
Rotatable Bond Count	7
Exact Mass	259.01018727
Monoisotopic Mass	259.01018727
Topological Polar Surface Area	114 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	218
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