Products for Research Use Only
RegisterLogin

Cafenstrole

CAT: 0926-FC28955-02Size: 50 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0926-FC28955-02Size:50 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
125306-83-4
Synonyms
N, N-Diethyl-3-mesitylsulfonyl-1H-1,2,4-triazole-1-carboxamide
MDL Number
MFCD01631150
Smiles
CCN (CC) C (=O) N1C=NC (=N1) S (=O) (=O) C2=C (C=C (C=C2C) C) C
Molecular Formula
C16H22N4O3S
Molecular Weight
350.44 g/mol
Controlled
No

Chemical Information

Cafenstrole

Cafenstrole is a member of the class of thiazoles that is 1,2,4-triazolethat is substituted at positiosn 1 and 3 by diethylaminocarbonyl and 3-mesitylsulfonyl groups, respectively. An animitotic, it is used to control of grassy weeds in rice paddys. Not approved for use in the European Union. It has a role as a herbicide, an agrochemical and an antimitotic. It is a member of benzenes, a member of triazoles and a sulfone.

CAS Number125306-83-4
PubChem CID195429
IUPAC NameN,N-diethyl-3-(2,4,6-trimethylphenyl)sulfonyl-1,2,4-triazole-1-carboxamide
Molecular FormulaC16H22N4O3S
Molecular Weight350.4
XLogP2.9
Topological Polar Surface Area93.5
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Heavy Atom Count24
Formal Charge0
Complexity532
SMILES
CCN(CC)C(=O)N1C=NC(=N1)S(=O)(=O)C2=C(C=C(C=C2C)C)C
InChI
InChI=1S/C16H22N4O3S/c1-6-19(7-2)16(21)20-10-17-15(18-20)24(22,23)14-12(4)8-11(3)9-13(14)5/h8-10H,6-7H2,1-5H3
InChIKey
HFEJHAAIJZXXRE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Cafenstrole
CAS: 125306-83-4
CID: 195429
Formula: C16H22N4O3S
MW: 350.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight350.4
XLogP32.9
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count5
Rotatable Bond Count4
Exact Mass350.14126175
Monoisotopic Mass350.14126175
Topological Polar Surface Area93.5 Ų
Heavy Atom Count24
Formal Charge0
Complexity532
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
T210336-01Cafenstrole
TRC-D444628-10MGN,N-Diethyl-3-(mesitylsulphonyl)-1H-1,2,4-triazole-1-carboximidamide (Cafenstrole)
OR1003793-01N, N-Diethyl-3- (mesitylsulphonyl) -1H-1,2,4-triazole-1-carboximidamide (Cafenstrole)

Popular Products