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3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone

3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone structure

CAS No:
13906-07-5
Formula:
C12H14N2OS
Chemical Name:
3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone
Synonyms:
4(1H)-Quinazolinone,3-butyl-2,3-dihydro-2-thioxo-;2,4(1H,3H)-Quinazolinedione,3-butyl-2-thio-;3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone;3-Butyl-2-mercaptoquinazolin-4-one;3-Butyl-2-mercaptoquinazoline-4-one;NSC 164977;3-Butyl-2-thioxo-2,3-dihydro-1H-quinazolin-4-one;3-Butyl-2-sulfanylidene-1H-quinazolin-4-one;3-Butyl-2-sulfanyl-3,4-dihydroquinazolin-4-one

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3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone Basic Attributes

Molecular Weight：

234.317

Exact Mass：

234.32

NSC Number：

164977

DSSTox ID：

DTXSID20364333

HScode：

2933990090

Characteristics

PSA：

64.4

XLogP3：

2.48530

Density：

1.25g/cm3

Melting Point：

240-242 °C @ Solvent: Ethanol

Boiling Point：

362.7ºC at 760mmHg

Flash Point：

173.1ºC

Refractive Index：

1.642

Computed Properties

Molecular Weight:234.32
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:234.08268425
Monoisotopic Mass:234.08268425
Topological Polar Surface Area:64.4
Heavy Atom Count:16
Complexity:293
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone

Basic Attributes
Characteristics
Computed Properties

3-Butyl-2,3-dihydro-2-thioxo-4(1H)-quinazolinone

SDS

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