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2-(4-Morpholinothio)Benzothiazole
CAS: 102-77-2 | C11H12N2OS2
2D Structure
3D Structure
Loading 3D structure...
Basic Information
CAS Registry Number:
102-77-2
Molecular Formula:
C11H12N2OS2
Molecular Weight:
252.36399999999995 g/mol
Names and Synonyms:
2-(4-Morpholinothio)Benzothiazole
2-(4-Morpholinothio)benzothiazole
N-Oxydiethyl-2-benzothiazolesulfenamide
Meramid M
Nocceler MSA
2-(Morpholinothio)benzothiazole
Vulcafor BSM
N-(Oxidiethylene)-2-benzothiazolyl sulfenamide
NOBS
Accelerator NS
Santocure MBS
Accel NS
Cure-rite OBTS
N-Morpholino-2-benzothiazolylsulfenamide
Sanceler NOB
MBS
2-(4-Morpholinylmercapto)benzothiazole
NOBS Special
2-Benzothiazolylsulfenylmorpholine
Vulkacit MOZ
4-(2-Benzothiazolylthio)morpholine
Sulfenamide M
Benzothiazole, 2-(4-morpholinylthio)-
2-(Morpholin-4-ylsulfanyl)-1,3-benzothiazole
MBS 80
NS
2-Benzothiazolesulfenic acid morpholide
OBTS
Vulkacit MOZ/LG
Delac MOR
Soxinol NBS
Sulfenax MOR
2-Benzothiazolesulfenemorpholide
2-Benzothiazolyl N-morpholino sulfide
Santocure MOR
Amax
Pilcure MOR
NSC 70078
Rhenogran MBS 80
SA-M
Nocceler MSA-G
N-Oxydiethylene-2-benzothiazolylsulfenamide
Vulcafor MBS
N,N-(Oxydiethylene)benzothiazole-2-sulfenamide
2-(4-Morpholinylthio)benzothiazole
Morpholine, 4-(2-benzothiazolylthio)-
Benzothiazole, 2-(morpholinothio)-
Identifiers:
SMILES:
c1ccc2sc(SN3CCOCC3)nc2c1
InChI:
InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2
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
| Category | Property | Value | Source |
|---|---|---|---|
| Physical Properties | molecular_mass | 252.36 g/mol | Legacy Database |
| density | 1.34 g/cm³ | Legacy Database | |
| cas-canonical-smile | N1=C(SC=2C=CC=CC12)SN3CCOCC3 | Legacy Database | |
| cas-density | 1.34 g/cm3 @ Temp: 25 °C | Legacy Database | |
| cas-inchi | InChI=1S/C11H12N2OS2/c1-2-4-10-9(3-1)12-11(15-10)16-13-5-7-14-8-6-13/h1-4H,5-8H2 | Legacy Database | |
| cas-inchi-key | InChIKey=MHKLKWCYGIBEQF-UHFFFAOYSA-N | Legacy Database | |
| cas-melting-point | 80 °C | Legacy Database | |
| cas-name | 2-(4-Morpholinothio)benzothiazole | Legacy Database | |
| LogP | 2.6356 | RDKit | |
| Molecular | Molecular Weight | 252.36399999999995 g/mol | RDKit |
| Exact | Exact Molecular Weight | 252.039105004 g/mol | RDKit |
| Heavy | Heavy Atom Count | 16 count | RDKit |
| Hydrogen | Hydrogen Bond Acceptors | 5 count | RDKit |
| Hydrogen Bond Donors | 0 count | RDKit | |
| Rotatable | Rotatable Bonds | 2 count | RDKit |
| Aromatic | Aromatic Ring Count | 2 count | RDKit |
| Topological | Topological Polar Surface Area | 25.36 Ų | RDKit |
| Molar | Molar Refractivity | 67.86900000000001 | RDKit |
