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N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide

N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide structure

CAS No:
6092-18-8
Formula:
C13H16N4O3S
Chemical Name:
N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide
Synonyms:
Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]-;Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathian-4-ylidene)ethyl]-;Carbonic acid,thio-,cyclic O,S-ester with N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-(4-hydroxy-2-mercapto-1-methyl-1-butenyl)formamide;1,3-Oxathiane,formamide deriv.;N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide;Carbothiamine;Cyclocarbothiamine;Cycothiamin;Cycotiamine;Cometamine;Commetamin;Cycothiamine;CCT;Cyclotiamine;Cyclothiamine

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N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide Basic Attributes

Molecular Weight：

308.35600

Exact Mass：

308.36

UNII：

FT8753F8R9

DSSTox ID：

DTXSID2057784

Characteristics

PSA：

123.71000

XLogP3：

3.04770

Density：

1.388g/cm3

Melting Point：

175.5 °C (decomp)

Boiling Point：

535.762ºC at 760 mmHg

Flash Point：

277.819ºC

Refractive Index：

1.641

N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide Use and Manufacturing

Cycotiamine is Thiamine (T344185) derivative used in the treatment of neurogenic bladder dysfunction. It is absorbed from the intestine and rapidly metabolized into thiamine in the blood. Studies suggest that it has stimulant action on intestinal motility.

Computed Properties

Molecular Weight:308.36
XLogP3:0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:3
Exact Mass:308.09431156
Monoisotopic Mass:308.09431156
Topological Polar Surface Area:124
Heavy Atom Count:21
Complexity:443
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[1-(2-oxo-1,3-oxathi-4-ylidene)ethyl]formamide

SDS

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