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4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate

4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate structure

CAS No:
137-76-8
Formula:
C18H26N4O6S
Chemical Name:
4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate
Synonyms:
Carbonic acid,4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl ester;Carbonic acid,thio-,O-ethyl ester,S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide ethyl carbonate (ester);Carbonic acid,4-[[(4-amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-pentenyl ethyl ester;Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)-,bis(ethyl carbonate) (ester);4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate;Cetotiamine;DCET;O,S-Dicarbethoxythiamine;O,S-Bis(ethoxycarbonyl)thiamine;O,S-Diethoxycarbonylthiamine;Dicethiamine

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4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate Basic Attributes

Molecular Weight：

426.488

Exact Mass：

426.49

Characteristics

PSA：

159

XLogP3：

4.22710

Density：

1.277g/cm3

Melting Point：

113.5-114.5 °C

Boiling Point：

610.2ºC at 760mmHg

Flash Point：

322.8ºC

Refractive Index：

1.566

Vapor Pressure：

7.88E-15mmHg at 25°C

Computed Properties

Molecular Weight:426.5
XLogP3:2.1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:10
Rotatable Bond Count:13
Exact Mass:426.15730574
Monoisotopic Mass:426.15730574
Topological Polar Surface Area:159
Heavy Atom Count:29
Complexity:589
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate

Basic Attributes
Characteristics
Computed Properties
Learn More Other Chemicals

4-[[(4-Amino-2-methyl-5-pyrimidinyl)methyl]formylamino]-3-[(ethoxycarbonyl)thio]-3-penten-1-yl ethyl carbonate

SDS

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