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Tetrabutylthiuram Disulfide
CAS: 1634-02-2 | C18H36N2S4
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
1634-02-2
Molecular Formula:
C18H36N2S4
Molecular Mass:
408.77 g/mol
Names and Synonyms:
Tetrabutylthiuram Disulfide
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), N,N,N′,N′-tetrabutyl-
Disulfide, bis(dibutylthiocarbamoyl)
Thioperoxydicarbonic diamide ([(H2N)C(S)]2S2), tetrabutyl-
Tetrabutylthiuram disulfide
Methanethioamide, 1,1′-dithiobis[N,N-dibutyl-
Bis(dibutylthiocarbamoyl) disulfide
N,N,N′,N′-Tetrabutylthiuram disulfide
Nocceler TBT
Butyl Tuads
Robac TBUT
Nocceler TBT-N
NSC 677476
E-BT 55
TBTD
Accel TBT-P
Tetra-n-butylthiuram disulfide
Sanceler TBT
Zinc ionophore I
TBTD 70
TBT-P
Nocceler TBT-P
Identifiers:
SMILES:
CCCCN(CCCC)C(=S)SSC(=S)N(CCCC)CCCC
InChI:
InChI=1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3
Key Properties
Melting Point
95 °C
CAS Common Chemistry
Spectral Data
NMR, IR, and Mass spectral data
1H NMR
13C NMR
Predicting NMR spectra...
10 ppm
9
8
7
6
5
4
3
2
1
0 ppm
| Shift (ppm) | Multiplicity | Integration | Assignment |
|---|
200 ppm
180
160
140
120
100
80
60
40
20
0 ppm
| Shift (ppm) | DEPT | Assignment |
|---|
Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.
All Properties
Comprehensive physical and chemical properties
| Property | Value | Source |
|---|---|---|
| Molecular Mass | 408.77 g/mol | CAS Common Chemistry |
| 408.7680000000003 g/mol | RDKit | |
| 408.176133152 g/mol | RDKit | |
| Canonical SMILES | S=C(SSC(=S)N(CCCC)CCCC)N(CCCC)CCCC | CAS Common Chemistry |
| InChI | InChI=1S/C18H36N2S4/c1-5-9-13-19(14-10-6-2)17(21)23-24-18(22)20(15-11-7-3)16-12-8-4/h5-16H2,1-4H3 | CAS Common Chemistry |
| InChI Key | InChIKey=PGAXJQVAHDTGBB-UHFFFAOYSA-N | CAS Common Chemistry |
| Melting Point | 95 °C | CAS Common Chemistry |
| Name | Tetrabutylthiuram disulfide | CAS Common Chemistry |
| Heavy Atom Count | 24 | RDKit |
| Hydrogen Bond Acceptors | 4 | RDKit |
| Hydrogen Bond Donors | 0 | RDKit |
| Rotatable Bonds | 12 | RDKit |
| Aromatic Ring Count | 0 | RDKit |
| Topological Polar Surface Area | 6.48 Ų | RDKit |
| LogP | 6.742000000000007 | RDKit |
| Molar Refractivity | 123.15600000000008 | RDKit |
