Basic information
- CAS
16064-21-4- Standard SMILES
O=c1[nH]c(=S)[nH]c2c1CCCC2- InChIKey
BRCPOVNFTXLBPI-UHFFFAOYSA-N- Molecular formula
- C8H10N2OS
- Average molar mass
- 182.25 g/mol
- Monoisotopic mass
- 182.05138412
Overview
See also: 2,3,5,6,7,8-hexahydro-2-thio-4(1H)-quinazolinone (annotation moved to) ... View More ...
Names & identifiers
- Preferred name
- 2-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one
- IUPAC
- 2-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-one
- English name
- 2-SULFANYL-5,6,7,8-TETRAHYDRO-4-QUINAZOLINOL
- Molecular formula
- C8H10N2OS
- Molecular weight
- 182.24
Names & synonyms
16064-21-42-Thioxo-2,3,5,6,7,8-hexahydroquinazolin-4(1H)-one2-Sulfanyl-5,6,7,8-tetrahydro-4-quinazolinol2-sulfanyl-5,6,7,8-tetrahydroquinazolin-4-ol2-mercapto-5,6,7,8-tetrahydroquinazolin-4-olMFCD006658492-sulfanylidene-5,6,7,8-tetrahydro-1H-quinazolin-4-one2-mercapto-5,6,7,8-tetrahydroquinazolin-4(3H)-one2-thioxo-2,3,5,6,7,8-hexahydro-4(1H)-quinazolinone2-sulfanyl-3,4,5,6,7,8-hexahydroquinazolin-4-one2-Mercapto-5,6,7,8-tetrahydro-4(3H)-quinazolinoneF3120-0019
Show more names
BUTTPARK 15\02-434-HYDROXY-2-MERCAPTO-5,6,7,8-TETRAHYDROQUINAZOLINE2,3,5,6,7,8-Hexahydro-2-thioxo-4(1H)-quinazolinone4(1H)-Quinazolinone,2,3,5,6,7,8-hexahydro-2-thioxo-
F3249-0159SMSSF-00240704-Hydroxy-5,6,7,8-tetrahydroquinazoline-2-thiolSCHEMBL5966585SCHEMBL8943915NIOSH/VA4251500SCHEMBL15599438DTXSID60371440
Properties
Computed structural properties
- XLogP
- 0.8
- Topological polar surface area
- 73.2 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 12
- Formal charge
- 0
- Complexity
- 283
Physicochemical properties
- Melting point
- 337 · 337-339°C
- Density
- 1.35 · 1.35±0.1 g/cm3(Predicted)
- storage temp.
- 2 · 2-8°C
- pka
- 8.77 · 8.77±0.20(Predicted)
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 302 · H302
- Precautionary statements
- 264 · P264-P270-P301+P312-P330-P501
- Hazard Codes
- Xi
- HazardClass
- IRRITANT
- HS Code
- 2933998090 · 2933998090
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi
- hazard_class
- IRRITANT
- Hazard statements
- H302
- Precautionary statements
- P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers11 total
陕西缔都化学有限公司029-029-81123119 17391733320 · [email protected]
南京世洲生物科技有限公司025-025-85560043 17301488900 · [email protected]
上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]
武汉凯威斯科技有限公司86-027-67849912 · [email protected]
赛纳斯特化学（欢迎点击联系）021-60343070
上海鑫圭生物科技有限公司15121041756 · [email protected]
江苏艾康生物医药研发有限公司025-66061636 19370895928 · [email protected]
南京合巨药业有限公司025-57027686 17372956142 · [email protected]
常州英飒医药科技有限公司15151934985 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
南京世洲生物科技有限公司18351873721 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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