Carbamimidothioic a...

Carbamimidothioic acid,1,4-dihydroxy-2-naphthalenyl ester 5391-75-3

Carbamimidothioic acid,1,4-dihydroxy-2-naphthalenyl ester 5391-75-3

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1 Gram

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  • Min.Order :1 Gram
  • Purity: 99%
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Keywords

Carbamimidothioic acid,1,4-dihydroxy-2-naphthalenyl ester Carbamimidothioic acid,1,4-dihydroxy-2-naphthalenyl ester 5391-75-3

Quick Details

  • Appearance:Solid
  • Application:Organic Chemicals
  • PackAge:as requested
  • ProductionCapacity:100|Kilogram|Month
  • Storage:Room Temperature
  • Transportation:as requested

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Details:

【Name】
Carbamimidothioic acid,1,4-dihydroxy-2-naphthalenyl ester
【Iupac name】
(1,4-dihydroxynaphthalen-2-yl) carbamimidothioate
【CAS Registry number】
5391-75-3
【Synonyms】
NSC 3197
【Molecular Formula】
C11H10 N2 O2 S (Products with the same molecular formula)
【Molecular Weight】
0
【Inchi】
InChI=1/C11H10N2O2S/c12-11(13)16-9-5-8(14)6-3-1-2-4-7(6)10(9)15/h1-5,14-15H,(H3,12,13)
【Canonical SMILES】
C1=CC=C2C(=C1)C(=CC(=C2O)SC(=N)N)O
【MOL File】
5391-75-3.mol
Chemical and Physical Properties
【Density】
1.5g/cm3
【Boiling Point】
492.9°C at 760 mmHg
【Refractive Index】
1.722
【Flash Point】
251.9°C
【Computed Properties】
Molecular Weight:234.2743 [g/mol]
Molecular Formula:C11H10N2O2S
XLogP3-AA:2.3
H-Bond Donor:4
H-Bond Acceptor:4
Rotatable Bond Count:2
Tautomer Count:4
Exact Mass:234.046298
MonoIsotopic Mass:234.046298
Topological Polar Surface Area:116
Heavy Atom Count:16
Formal Charge:0
Complexity:275
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
Feature 3D Donor Count:4
Feature 3D Cation Count:1
Feature 3D Ring Count:2
Effective Rotor Count:2
Conformer Sampling RMSD:0.6
CID Conformer Count:8

 

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