Dibenzotetrathiafulvalene

CAT: 0926-FD31218-01Size: 100 mgDry Ice: NoHazardous: No

1 / 1

CAT#:0926-FD31218-01Size:100 mg

Selected

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

Quick Request Actions

CAS Number

24648-13-3

Synonyms

DBTTF; [2,2’]Bi[benzo[1,3]dithiolylidene]

MDL Number

MFCD00443822

Smiles

C1=CC=C2C (=C1) SC (=C3SC4=CC=CC=C4S3) S2

Molecular Formula

C14H8S4

Molecular Weight

304.48 g/mol

Controlled

Chemical Information

Dibenzotetrathiafulvalene

small molecule used to create cocrystals for imaging

CAS Number	24648-13-3
PubChem CID	141136
IUPAC Name	2-(1,3-benzodithiol-2-ylidene)-1,3-benzodithiole
Molecular Formula	C14H8S4
Molecular Weight	304.5
XLogP	5.4
Topological Polar Surface Area	101
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Heavy Atom Count	18
Formal Charge	0
Complexity	299

SMILES

C1=CC=C2C(=C1)SC(=C3SC4=CC=CC=C4S3)S2

InChI

InChI=1S/C14H8S4/c1-2-6-10-9(5-1)15-13(16-10)14-17-11-7-3-4-8-12(11)18-14/h1-8H

InChIKey

OVIRUXIWCFZJQC-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 24648-13-3

CID: 141136

Formula: C14H8S4

MW: 304.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	304.5
XLogP3	5.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	0
Exact Mass	303.95088495
Monoisotopic Mass	303.95088495
Topological Polar Surface Area	101 Å²
Heavy Atom Count	18
Formal Charge	0
Complexity	299
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
273096-01	Dibenzotetrathiafulvalene