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Structure

1-(Phenylthio)propane-2-ol

CAS
937-56-4
Catalog Number
ACM937564
Category
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What is the molecular formula of the compound?

The molecular formula is C9H12OS.

What is the molecular weight of the compound?

The molecular weight is 168.26 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 1-phenylsulfanylpropan-2-ol.

What is the InChI of the compound?

The InChI is InChI=1S/C9H12OS/c1-8(10)7-11-9-5-3-2-4-6-9/h2-6,8,10H,7H2,1H3.

What is the InChIKey of the compound?

The InChIKey is LMWDPYSNDDVIAD-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES is CC(CSC1=CC=CC=C1)O.

What are the synonyms of the compound?

The synonyms are 2-Propanol, 1-phenylthio-; 937-56-4; 1-Phenylthio-2-propanol; 1-(phenylthio)propan-2-ol; 2-Propanol, 1-(phenylthio)-, and more.

What is the CAS number of the compound?

The CAS number is 937-56-4.

How many hydrogen bond donor counts does the compound have?

The compound has 1 hydrogen bond donor count.

How many rotatable bond counts does the compound have?

The compound has 3 rotatable bond counts.

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