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3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione

3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione structure

CAS No:
90567-39-8
Formula:
C4H6N2OS3
Chemical Name:
3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione
Synonyms:
1,3,4-Thiadiazole-2(3H)-thione,3-(hydroxymethyl)-5-(methylthio)-;Δ2-1,3,4-Thiadiazoline-5-thione,4-(hydroxymethyl)-2-(methylthio)-;3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione;3-Hydroxymethyl-5-methylsulfanyl-3H-[1,3,4]thiadiazole-2-thione

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3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione Basic Attributes

Molecular Weight：

194.29800

Exact Mass：

194.30

DSSTox ID：

DTXSID20361322

HScode：

2934999090

Characteristics

PSA：

123.68000

XLogP3：

1.34580

Density：

1.64g/cm3

Melting Point：

72-74 °C

Boiling Point：

306.9ºC at 760mmHg

Flash Point：

139.4ºC

Refractive Index：

1.771

Safety Information

hazard class code：

R36/37/38

safety instructions：

S26-S37/39

Marks：

Xi:Irritant;

Computed Properties

Molecular Weight:194.3
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:2
Exact Mass:193.96422634
Monoisotopic Mass:193.96422634
Topological Polar Surface Area:119
Heavy Atom Count:10
Complexity:181
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione

Basic Attributes
Characteristics
Safety Information
Computed Properties

3-(Hydroxymethyl)-5-(methylthio)-1,3,4-thiadiazole-2(3H)-thione

SDS

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