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Structure

5-Chloro-1,3,4-thiadiazole-2-methanol

CAS
912669-58-0
Catalog Number
ACM912669580
Category
Other Products
Molecular Formula
C3H3ClN2OS

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What is the molecular formula of 5-Chloro-1,3,4-thiadiazole-2-methanol?

The molecular formula is C3H3ClN2OS.

What is the molecular weight of 5-Chloro-1,3,4-thiadiazole-2-methanol?

The molecular weight is 150.59 g/mol.

What is the IUPAC name of 5-Chloro-1,3,4-thiadiazole-2-methanol?

The IUPAC name is (5-chloro-1,3,4-thiadiazol-2-yl)methanol.

What is the InChI of 5-Chloro-1,3,4-thiadiazole-2-methanol?

The InChI is InChI=1S/C3H3ClN2OS/c4-3-6-5-2(1-7)8-3/h7H,1H2.

What is the InChIKey of 5-Chloro-1,3,4-thiadiazole-2-methanol?

The InChIKey is KSOMHENBFNSUCP-UHFFFAOYSA-N.

What is the computed XLogP3-AA value of 5-Chloro-1,3,4-thiadiazole-2-methanol?

The computed XLogP3-AA value is 0.5.

How many hydrogen bond donor counts does 5-Chloro-1,3,4-thiadiazole-2-methanol have?

It has 1 hydrogen bond donor count.

How many hydrogen bond acceptor counts does 5-Chloro-1,3,4-thiadiazole-2-methanol have?

It has 4 hydrogen bond acceptor counts.

How many rotatable bond counts does 5-Chloro-1,3,4-thiadiazole-2-methanol have?

It has 1 rotatable bond count.

Is 5-Chloro-1,3,4-thiadiazole-2-methanol a canonicalized compound?

Yes, it is a canonicalized compound.

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