Dipentamethylenethiuram tetrasulfide

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Catalog Number
ACM120547-2
Product Name
Dipentamethylenethiuram tetrasulfide
Structure
Structure
CAS
120-54-7
Category
Heterocyclic Organic Compound
Description
OtherSolid
Synonyms
Bis(pentamethylene)thiuram tetrasulfide
IUPAC Name
(Piperidine-1-carbothioyltrisulfanyl) piperidine-1-carbodithioate
Molecular Weight
384.7
Molecular Formula
C12H20N2S6
Canonical SMILES
C1CCN(CC1)C(=S)SSSSC(=S)N2CCCCC2
InChI
InChI=1S/C12H20N2S6/c15-11(13-7-3-1-4-8-13)17-19-20-18-12(16)14-9-5-2-6-10-14/h1-10H2
InChI Key
VNDRMZTXEFFQDR-UHFFFAOYSA-N
Boiling Point
510.1±33.0 °C
Melting Point
118.0-122.0 °C
Density
1.4933 g/cm3
Complexity
294
Covalently-Bonded Unit Count
1
Defined Atom Stereocenter Count
0
Defined Bond Stereocenter Count
0
EC Number
204-406-0
Exact Mass
383.99507569
Formal Charge
0
H-Bond Acceptor
6
H-Bond Donor
0
Heavy Atom Count
20
Hydrogen Bond Acceptor Count
6
Hydrogen Bond Donor Count
0
Isotope Atom Count
0
LogP
2.8 (LogP)
Monoisotopic Mass
383.99507569
NSC Number
4823
Physical State
Powder
Rotatable Bond Count
5
RTECS Number
TN4221000
Topological Polar Surface Area
172 Ų
Undefined Atom Stereocenter Count
0
Undefined Bond Stereocenter Count
0
UNII
YX3WH7S23F
XLogP3
4.3
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