Sulconazole Nitrate Impurity 8

CAT: 1299-RM-S255008-01Size: 10 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-S255008-01Size:10 mg

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CAS Number

14122-38-4

Synonyms

2-chlorobenzyl carbamimidothioate

Molecular Formula

C8H9ClN2S

Molecular Weight

200.68

Target Alternative Name

Sulconazole Nitrate

Product Name Synonym

2-chlorobenzyl carbamimidothioate

Chemical Information

2-Chlorobenzyl Carbamimidothioate

Carbamimidothioic acid (2-chlorophenyl)methyl ester is an organochlorine compound.

CAS Number	14122-38-4
PubChem CID	199162
IUPAC Name	(2-chlorophenyl)methyl carbamimidothioate
Molecular Formula	C8H9ClN2S
Molecular Weight	200.69
XLogP	2.2
Topological Polar Surface Area	75.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Heavy Atom Count	12
Formal Charge	0
Complexity	163

SMILES

C1=CC=C(C(=C1)CSC(=N)N)Cl

InChI

InChI=1S/C8H9ClN2S/c9-7-4-2-1-3-6(7)5-12-8(10)11/h1-4H,5H2,(H3,10,11)

InChIKey

SFKYKNIIEFCNBX-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 14122-38-4

CID: 199162

Formula: C8H9ClN2S

MW: 200.69

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	200.69
XLogP3	2.2
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	3
Exact Mass	200.0174972
Monoisotopic Mass	200.0174972
Topological Polar Surface Area	75.2 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	163
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
RM-S255027-01	Sulconazole Nitrate Impurity 27
RM-S255023-01	Sulconazole Nitrate Impurity 23
RM-S255018-01	Sulconazole Nitrate Impurity 18
RM-S255007-01	Sulconazole Nitrate Impurity 7
RM-S255014-01	Sulconazole Nitrate Impurity 14
RM-S255005-01	Sulconazole Nitrate Impurity 5
RM-S255024-01	Sulconazole Nitrate Impurity 24
RM-S255020-01	Sulconazole Nitrate Impurity 20
RM-S255019-01	Sulconazole Nitrate Impurity 19
RM-S255016-01	Sulconazole Nitrate Impurity 16

Catalog	Name
MBS579220	Sulconazole Nitrate
HY-B1460A	Sulconazole (nitrate)
sc-236948	Sulconazole nitrate salt
AR-M01780-01	Miconazole Nitrate Impurity C Nitrate
AR-M04624-01	Miconazole Nitrate Impurity A
AR-I01813-01	Isoconazole Nitrate EP Impurity C Nitrate (Miconazole Nitrate)
AR-M04628-01	Miconazole Nitrate Impurity B
CS-T-52659	Sertaconazole Nitrate EP Impurity A
AR-F02250-01	Fenticonazole EP Impurity B Nitrate
sc-338599	Sulconazole