Phenkapton

CAT: 0926-CAA27514-01Size: 0.5 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-CAA27514-01Size:0.5 mg

Selected

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

Quick Request Actions

CAS Number

2275-14-1

Smiles

CCOP (=S) (OCC) SCSC1=C (C=CC (=C1) Cl) Cl

Molecular Formula

C11H15Cl2O2PS3

Molecular Weight

377.3 g/mol

Controlled

Chemical Information

Phenkapton

Phenkapton is an organic sulfide.

CAS Number	2275-14-1
PubChem CID	16773
IUPAC Name	(2,5-dichlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-lambda5-phosphane
Molecular Formula	C11H15Cl2O2PS3
Molecular Weight	377.3
XLogP	6
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Heavy Atom Count	19
Formal Charge	0
Complexity	300

SMILES

CCOP(=S)(OCC)SCSC1=C(C=CC(=C1)Cl)Cl

InChI

InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3

InChIKey

GGNLTHFTYNDYNK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2275-14-1

CID: 16773

Formula: C11H15Cl2O2PS3

MW: 377.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	377.3
XLogP3	6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	8
Exact Mass	375.9348856
Monoisotopic Mass	375.9348856
Topological Polar Surface Area	101 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	300
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-P294575-5MG	Phenkapton(>90%)