{[3-Cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}acetic acid

CAS
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CAS
94640-13-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94640138

Product Name

{[3-Cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}acetic acid

Structure

Structure

CAS

94640-13-8

Category

Heterocyclic Organic Compound

Synonyms

ZINC03152460, CID7038251, 94640-13-8

IUPAC Name

2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetate

Molecular Weight

314.359

Molecular Formula

C₁₆H₁₄N₂O₃S

InChI Key

QTISFWVNCSCDDO-UHFFFAOYSA-M

Boiling Point

531.7ºC at 760mmHg

Flash Point

275.4ºC

Density

1.41g/cm³

Exact Mass

314.07300

H-Bond Acceptor

5

H-Bond Donor

0

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of the compound {[3-Cyano-4-(2-furyl)-5,6,7,8-tetrahydroquinolin-2-yl]thio}acetic acid?

The molecular formula is C16H14N2O3S.

What is the molecular weight of the compound?

The molecular weight is 314.4 g/mol.

What is the IUPAC name of the compound?

The IUPAC name is 2-[[3-cyano-4-(furan-2-yl)-5,6,7,8-tetrahydroquinolin-2-yl]sulfanyl]acetic acid.

What is the InChI of the compound?

The InChI is InChI=1S/C16H14N2O3S/c17-8-11-15(13-6-3-7-21-13)10-4-1-2-5-12(10)18-16(11)22-9-14(19)20/h3,6-7H,1-2,4-5,9H2,(H,19,20).

What is the InChIKey of the compound?

The InChIKey is QTISFWVNCSCDDO-UHFFFAOYSA-N.

How many hydrogen bond donor counts are there in the compound?

There is 1 hydrogen bond donor count.

What is the exact mass of the compound?

The exact mass is 314.07251349 g/mol.

How many hydrogen bond acceptor counts are there in the compound?

There are 6 hydrogen bond acceptor counts.

Is the compound canonicalized?

Yes, the compound is canonicalized.

How many rotatable bond counts are there in the compound?

There are 4 rotatable bond counts.

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