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Sulfathiourea

Sulfathiourea structure

CAS No:
515-49-1
Formula:
C7H9N3O2S2
Chemical Name:
Sulfathiourea
Synonyms:
Benzenesulfonamide,4-amino-N-(aminothioxomethyl)-;Urea,1-sulfanilyl-2-thio-;4-Amino-N-(aminothioxomethyl)benzenesulfonamide;R.P. 2255;p-Aminophenylsulfonylthiourea;Badional;Baldinol;Fontamide;Solufontamide;Sulfanilthiourea;1-Sulfanilyl-2-thiourea;Salvoseptyl;Sulfanilthiocarbamide;Sulfathiocarbamide;Sulfathiourea;p-Aminobenzenesulfonylthiourea;Sulfathiocarbamid;N1-(Thiocarbamoyl)sulfanilamide;NSC 108228;(4-Aminobenzenesulfonyl)thiourea
Categories:
Organic Chemistry > Amides

Description

ChEBI: A substituted aniline that is thiourea in which one of the hydrogens has been replaced by a (p-aminophenyl)sulfonyl group.

Sulfathiourea is a substituted aniline that is thiourea in which one of the hydrogens has been replaced by a (p-aminophenyl)sulfonyl group. It has a role as an antibacterial drug and an EC 2.5.1.15 (dihydropteroate synthase) inhibitor. It is a sulfonamide antibiotic, a member of thioureas and a substituted aniline. It derives from a sulfanilamide.|Sulfathiourea is a short-acting sulfonamide antibiotic.

Sulfathiourea Basic Attributes

Molecular Weight：

231.288

Exact Mass：

231.30

EC Number：

208-201-7

UNII：

MXF9G4I1V5

NSC Number：

108228

DSSTox ID：

DTXSID4046868

NCI Thesaurus Code：

C76982

ATC Code：

J - Antiinfectives for systemic use

HScode：

2935009090

Characteristics

PSA：

139

XLogP3：

2.54390

Density：

1.532g/cm3

Melting Point：

182 °C

Boiling Point：

457.4ºC at 760mmHg

Flash Point：

230.4ºC

Refractive Index：

1.697

Water Solubility：

547mg/L(20 ºC)

Toxicity：

LD50 oral in rat: > 3gm/kg

Drug Information

MeSH Entry Terms：

1-sulfanilyl-2-thiourea

Computed Properties

Molecular Weight:231.3
XLogP3:-0.7
Hydrogen Bond Donor Count:3
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:231.01361889
Monoisotopic Mass:231.01361889
Topological Polar Surface Area:139
Heavy Atom Count:14
Complexity:301
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes