Dipentamethylenethiuram hexasulfide

CAS
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CAS
971-15-3
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Catalog Number

ACM971153-1

Product Name

Dipentamethylenethiuram hexasulfide

Structure

Structure

CAS

971-15-3

Category

Heterocyclic Organic Compound

Synonyms

1,6-Hexasulfanediylbis(1-piperidinylmethanethione)

IUPAC Name

(Piperidine-1-carbothioylpentasulfanyl) piperidine-1-carbodithioate

Molecular Weight

448.8

Molecular Formula

C12H20N2S8

Canonical SMILES

C1CCN(CC1)C(=S)SSSSSSC(=S)N2CCCCC2

InChI

InChI=1S/C12H20N2S8/c15-11(13-7-3-1-4-8-13)17-19-21-22-20-18-12(16)14-9-5-2-6-10-14/h1-10H2

InChI Key

HPFHYRNETZEPIV-UHFFFAOYSA-N

Boiling Point

578.4±33.0 °C

Melting Point

135-136 °C

Density

1.518±0.06 g/cm3

Complexity

321

Covalently-Bonded Unit Count

1

Defined Atom Stereocenter Count

0

Defined Bond Stereocenter Count

0

Exact Mass

447.939218

Formal Charge

0

Heavy Atom Count

22

Hydrogen Bond Acceptor Count

8

Hydrogen Bond Donor Count

0

Isotope Atom Count

0

Monoisotopic Mass

447.939218

Physical State

Pale yellow powder

Rotatable Bond Count

7

Topological Polar Surface Area

223 Å²

Undefined Atom Stereocenter Count

0

Undefined Bond Stereocenter Count

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the chemical formula of Dipentamethylenethiuram hexasulfide?

The chemical formula of Dipentamethylenethiuram hexasulfide is C12H20N2S8.

What is the molecular weight of Dipentamethylenethiuram hexasulfide?

The molecular weight of Dipentamethylenethiuram hexasulfide is 448.8 g/mol.

When was the Dipentamethylenethiuram hexasulfide created?

Dipentamethylenethiuram hexasulfide was created on August 8, 2005.

What is the IUPAC Name of Dipentamethylenethiuram hexasulfide?

The IUPAC Name of Dipentamethylenethiuram hexasulfide is (piperidine-1-carbothioylpentasulfanyl) piperidine-1-carbodithioate.

What is the InChIKey of Dipentamethylenethiuram hexasulfide?

The InChIKey of Dipentamethylenethiuram hexasulfide is HPFHYRNETZEPIV-UHFFFAOYSA-N.

How many hydrogen bond donor counts does Dipentamethylenethiuram hexasulfide have?

Dipentamethylenethiuram hexasulfide has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does Dipentamethylenethiuram hexasulfide have?

Dipentamethylenethiuram hexasulfide has 8 hydrogen bond acceptor counts.

What is the topological polar surface area of Dipentamethylenethiuram hexasulfide?

The topological polar surface area of Dipentamethylenethiuram hexasulfide is 223 ?2.

How many rotatable bond counts does Dipentamethylenethiuram hexasulfide have?

Dipentamethylenethiuram hexasulfide has 7 rotatable bond counts.

What is the complexity of Dipentamethylenethiuram hexasulfide?

The complexity of Dipentamethylenethiuram hexasulfide is 321.

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