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(4E)-5-(hydroxymethyl)-2-methyl-4-[[(2-oxothiolan-3-yl)amino]methylidene]pyridin-3-one

(4E)-5-(hydroxymethyl)-2-methyl-4-[[(2-oxothiolan-3-yl)amino]methylidene]pyridin-3-one structure

CAS No:
23374-43-8
Formula:
C12H14N2O3S
Chemical Name:
(4E)-5-(hydroxymethyl)-2-methyl-4-[[(2-oxothiolan-3-yl)amino]methylidene]pyridin-3-one
Synonyms:
N-(2-Methyl-3-hydroxy-5-(hydroxymethyl-4-pyridylmethylen)-homocystein-thiolacton; 2(3H)-Thiophenone,dihydro-3-(((3-hydroxy-5-(hydroxymethyl)-6-methyl-4-pyridyl)methylene)amino); N-(2-Methyl-3-hydroxy-5-hydroxymethyl-4-pyridylmethylidene)-homocysteine thiolactone;

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(4E)-5-(hydroxymethyl)-2-methyl-4-[[(2-oxothiolan-3-yl)amino]methylidene]pyridin-3-one Basic Attributes

Molecular Weight：

266.31600

Exact Mass：

266.07251349 g/mol

Characteristics

PSA：

104.06000

XLogP3：

0.23830

Density：

1.44g/cm3

Boiling Point：

499.9ºC

Flash Point：

256.2ºC

Refractive Index：

1.675

Vapor Pressure：

4.33E-12mmHg at 25°C

Computed Properties

Molecular Weight:266.32
XLogP3:0.4
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:3
Exact Mass:266.07251349
Monoisotopic Mass:266.07251349
Topological Polar Surface Area:108
Heavy Atom Count:18
Complexity:337
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of (4E)-5-(hydroxymethyl)-2-methyl-4-[[(2-oxothiolan-3-yl)amino]methylidene]pyridin-3-one

Basic Attributes
Characteristics
Computed Properties

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