Sulfacytine

CAT: 0607-BA1188-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA1188-25Size:25 mg

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CAS Number

17784-12-2

Form

A solid

Molecular Formula

C12H14N4O3S

Molecular Weight

294.33

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Sulfacytine

Sulfacytine is a member of benzenes and a sulfonamide.

CAS Number	17784-12-2
PubChem CID	5322
IUPAC Name	4-amino-N-(1-ethyl-2-oxopyrimidin-4-yl)benzenesulfonamide
Molecular Formula	C12H14N4O3S
Molecular Weight	294.33
XLogP	0.1
Topological Polar Surface Area	113
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Heavy Atom Count	20
Formal Charge	0
Complexity	527

SMILES

CCN1C=CC(=NC1=O)NS(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C12H14N4O3S/c1-2-16-8-7-11(14-12(16)17)15-20(18,19)10-5-3-9(13)4-6-10/h3-8H,2,13H2,1H3,(H,14,15,17)

InChIKey

SIBQAECNSSQUOD-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 17784-12-2

CID: 5322

Formula: C12H14N4O3S

MW: 294.33

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	294.33
XLogP3	0.1
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	4
Exact Mass	294.07866149
Monoisotopic Mass	294.07866149
Topological Polar Surface Area	113 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	527
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