Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate

CAS
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CAS
94276-05-8
Size
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Purity
96%
Price
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Availability
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Catalog Number

ACM94276058

Product Name

Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate

Structure

Structure

CAS

94276-05-8

Category

Heterocyclic Organic Compound

Synonyms

Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulphonate, 94276-05-8, EINECS 304-494-1, AC1MIFYG, CTK5H6180, AG-H-89073, azanium 4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate

IUPAC Name

azanium;4-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)benzenesulfonate

Molecular Weight

351.400720 [g/mol]

Molecular Formula

C14H13N3O4S2

InChI Key

PGSXLOPFPCVYCJ-UHFFFAOYSA-N

Boiling Point

633.1ºC at 760mmHg

Flash Point

336.7ºC

Exact Mass

351.03500

H-Bond Acceptor

5

H-Bond Donor

2

MSDS

COA

Spec Sheet

Download Spec Sheet

What is the molecular formula of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

The molecular formula is C14H13N3O4S2.

When was Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate created?

It was created on August 8, 2005.

What is the molecular weight of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

The molecular weight is 351.4 g/mol.

How many hydrogen bond donor counts are there in Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

There are 2 hydrogen bond donor counts.

What is the topological polar surface area of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

The topological polar surface area is 131 Å².

What is the formal charge of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

The formal charge is 0.

How many rotatable bond counts are there in Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

There is 1 rotatable bond count.

What is the exact mass of Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

The exact mass is 351.03474825 g/mol.

Is the compound canonicalized in Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

Yes, the compound is canonicalized.

What are some synonyms for Ammonium 4-(1,4-dihydro-4-oxo-2-thioxo-3(2H)-quinazolinyl)benzenesulfonate?

Some synonyms include EINECS 304-494-1 and Ammonium 4-(4-oxo-2-thioxo-1,2-dihydroquinazolin-3(4H)-yl)benzenesulfonate.

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