Hydroxy Sulfentrazone

CAT: 1596-AR-S02060-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-S02060-02Size:25 Units

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CAS Number

134390-99-1

Synonyms

N- (2,4-dichloro-5- (4- (difluoromethyl) -3- (hydroxymethyl) -5-oxo-4,5-dihydro-1H-1,2,4-triazol-1-yl) phenyl) methanesulfonamide

Molecular Formula

C11H10Cl2F2N4O4S

Molecular Weight

403.19

API Name

Sulfentrazone

Chemical Information

Hydroxy sulfentrazone

1-[2,4-dichloro-5-(Methylsulfonylamino)phenyl]-3-(hydroxymethyl)-4-(difluoromethyl)-1H-1,2,4-triazol-5(4H)-one is a member of triazoles.

CAS Number	134390-99-1
PubChem CID	20055237
IUPAC Name	N-[2,4-dichloro-5-[4-(difluoromethyl)-3-(hydroxymethyl)-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
Molecular Formula	C11H10Cl2F2N4O4S
Molecular Weight	403.2
XLogP	1.6
Topological Polar Surface Area	111
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Heavy Atom Count	24
Formal Charge	0
Complexity	630

SMILES

CS(=O)(=O)NC1=CC(=C(C=C1Cl)Cl)N2C(=O)N(C(=N2)CO)C(F)F

InChI

InChI=1S/C11H10Cl2F2N4O4S/c1-24(22,23)17-7-3-8(6(13)2-5(7)12)19-11(21)18(10(14)15)9(4-20)16-19/h2-3,10,17,20H,4H2,1H3

InChIKey

JZJKMWPTUGSZCH-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 134390-99-1

CID: 20055237

Formula: C11H10Cl2F2N4O4S

MW: 403.2

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	403.2
XLogP3	1.6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	8
Rotatable Bond Count	5
Exact Mass	401.9767877
Monoisotopic Mass	401.9767877
Topological Polar Surface Area	111 Å²
Heavy Atom Count	24
Formal Charge	0
Complexity	630
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
TRC-H977690-25MG	Hydroxy Sulfentrazone
GTR19156838-01	Sulfentrazone
HY-135745R	Sulfentrazone (Standard)
TRC-D295720-1MG	3-Desmethyl Sulfentrazone
LCS-6013	1000 ug/mL Sulfentrazone in Acetone - 1ML
LCS-6013-ACN	1000 ug/mL Sulfentrazone in HPLC Acetonitrile - 1ML
H9110-18M	6a-Hydroxy Paclitaxel (6a-Hydroxy Taxol)
452074-01	Hydroxy-4-androstenone (Mixture of α-β 3-Hydroxy)
B8305-10	Hydroxy Bupropion
TBW01645	Hydroxy-ε-sanshool