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Isoxyl

Isoxyl structure

CAS No:
910-86-1
Formula:
C23H32N2O2S
Chemical Name:
Isoxyl
Synonyms:
Thiourea,N,N′-bis[4-(3-methylbutoxy)phenyl]-;Carbanilide,4,4′-bis(isopentyloxy)thio-;N,N′-Bis[4-(3-methylbutoxy)phenyl]thiourea;4,4′-Bis(isoamyloxy)thiocarbanilide;4,4′-Bis(isopentyloxy)thiocarbanilide;4,4′-Di(isoamyloxy)thiocarbanilide;Isoxyl;Thiocarlide;Tiocarlid;Tiocarlide;N,N′-Bis[p-(3-methylbutoxy)phenyl]thiourea;Disocarban;DATC;Datanil;1,3-Bis[4-(isopentyloxy)phenyl]thiourea;sym-Bis(4-isoamyloxyphenyl)thiourea;13006-82-1
Categories:
Chemical Reagents > Organic Reagents

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Description

Tiocarlide is a member of thioureas.

Isoxyl Basic Attributes

Molecular Weight：

400.58

Exact Mass：

400.58

EC Number：

213-006-5

UNII：

43M23X81Y2

NSC Number：

742400

DSSTox ID：

DTXSID70238358

ATC Code：

J - Antiinfectives for systemic use

Characteristics

PSA：

74.6

XLogP3：

6.12

Density：

1.1±0.1 g/cm3

Melting Point：

146 °C

Boiling Point：

508.5±60.0 °C at 760 mmHg

Flash Point：

261.3±32.9 °C

Refractive Index：

1.600

Drug Information

MeSH：

Drugs used in the treatment of tuberculosis. They are divided into two main classes: "first-line" agents, those with the greatest efficacy and acceptable degrees of toxicity used successfully in the great majority of cases; and "second-line" drugs used in drug-resistant cases or those in which some other patient-related condition has compromised the effectiveness of primary therapy. (See all compounds classified as Antitubercular Agents.)

MeSH Entry Terms：

4,4'-diisoamyloxythiocarbanilide

Computed Properties

Molecular Weight:400.6
XLogP3:6.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:10
Exact Mass:400.21844944
Monoisotopic Mass:400.21844944
Topological Polar Surface Area:74.6
Heavy Atom Count:28
Complexity:390
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes