Sulfacarbamide

CAT: 0926-AAA54744-02Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-AAA54744-02Size:1 g

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CAS Number

547-44-4

MDL Number

MFCD00025437

Smiles

C1=CC (=CC=C1N) S (=O) (=O) NC (=O) N

Molecular Formula

C7H9N3O3S

Molecular Weight

215.23 g/mol

Controlled

Chemical Information

Sulfacarbamide

Sulfacarbamide is a member of benzenes and a sulfonamide.

CAS Number	547-44-4
PubChem CID	11033
IUPAC Name	(4-aminophenyl)sulfonylurea
Molecular Formula	C7H9N3O3S
Molecular Weight	215.23
XLogP	-1.5
Topological Polar Surface Area	124
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Heavy Atom Count	14
Formal Charge	0
Complexity	301

SMILES

C1=CC(=CC=C1N)S(=O)(=O)NC(=O)N

InChI

InChI=1S/C7H9N3O3S/c8-5-1-3-6(4-2-5)14(12,13)10-7(9)11/h1-4H,8H2,(H3,9,10,11)

InChIKey

WVAKABMNNSMCDK-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 547-44-4

CID: 11033

Formula: C7H9N3O3S

MW: 215.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	215.23
XLogP3	-1.5
Hydrogen Bond Donor Count	3
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	2
Exact Mass	215.03646233
Monoisotopic Mass	215.03646233
Topological Polar Surface Area	124 Å²
Heavy Atom Count	14
Formal Charge	0
Complexity	301
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