3-allyl-6-chloro-2-mercaptoquinazolin-4(3H)-one
Basic information
- CAS
49782-31-2- Standard SMILES
C=CCn1c(=S)[nH]c2ccc(Cl)cc2c1=O- InChIKey
FZJBOYPXMWSKSB-UHFFFAOYSA-N- Molecular formula
- C11H9ClN2OS
- Average molar mass
- 252.72 g/mol
- Monoisotopic mass
- 252.0124118
Names & identifiers
- Preferred name
- 3-allyl-6-chloro-2-mercaptoquinazolin-4(3H)-one
- IUPAC
- 6-chloro-3-prop-2-enyl-2-sulfanylidene-1H-quinazolin-4-one
- English name
- 3-ALLYL-6-CHLORO-2-MERCAPTOQUINAZOLIN-4(3H)-ONE
- Molecular formula
- C11H9ClN2OS
- Molecular weight
- 252.72
Names & synonyms
3-allyl-6-chloro-2-mercaptoquinazolin-4(3H)-one49782-31-26-chloro-3-(prop-2-en-1-yl)-2-sulfanyl-3,4-dihydroquinazolin-4-oneDTXSID40368717HMS1760M114(1H)-Quinazolinone,6-chloro-2,3-dihydro-3-(2-propen-1-yl)-2-thioxo-AKOS001059054AKOS005198620CS-0349120EN300-077763-allyl-6-chloro-2-thioxo-1H-quinazolin-4-oneSR-01000556786
Show more names
4(1H)-Quinazolinone, 6-chloro-2,3-dihydro-3-(2-propen-1-yl)-2-thioxo-
SR-01000556786-1Z556668536-Chloro-3-(prop-2-en-1-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Database identifiers
- CAS
49782-31-2- PubChem CID
- 2452091
- DTXSID
DTXSID40368717
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 64.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 2
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 334
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Compound notes
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