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Basic information
- CAS
3337-86-8- Standard SMILES
S=c1nc[nH]c2ccccc12- InChIKey
TWWNPUZQYVWXJY-UHFFFAOYSA-N- Molecular formula
- C8H6N2S
- Average molar mass
- 162.21 g/mol
- Monoisotopic mass
- 162.02516919
Names & identifiers
- Preferred name
- 4-Quinazolinethiol
- IUPAC
- 1H-quinazoline-4-thione
- English name
- 4(3h)-quinazolinethione
- Molecular formula
- C8H6N2S
- Molecular weight
- 162.21
Names & synonyms
4-Quinazolinethiol3337-86-84-Mercaptoquinazoline4(3H)-Quinazolinethione4(1H)-QuinazolinethioneNSC 401246DTXSID40186993RefChem:100463DTXCID801094844(1H)-Quinazolinethione (9CI)4(3H)-Quinazolinethione (9CI)TWWNPUZQYVWXJY-UHFFFAOYSA-N
Show more names
quinazoline-4-thiol1H-quinazoline-4-thionequinazoline-4(3H)-thioneC8H6N2SMFCD00091877Quinazoline-4(1H)-thioneNSC207860quinazoline-4-thione
Database identifiers
- CAS
3337-86-8- PubChem CID
- 736090
- DTXSID
DTXSID40186993- EC Number
- 853-883-7
- Nikkaji
- J48.180G
Properties
Computed structural propertiesFilling in
- XLogP
- 1.4
- Topological polar surface area
- 56.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 0
- Heavy atoms
- 11
- Formal charge
- 0
- Complexity
- 200
Physicochemical properties
- EWG's Food Scores
- 1 · 1
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 335 · H335-H315-H319-H302
- Precautionary statements
- 264 · P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
- 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.
GHS classification
GHS Classification
Warning
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (100%)
Safety data
- hs_code
- 2933998090
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H335-H315-H319-H302
- Precautionary statements
- P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P-P264-P270-P301+P312-P330-P501
Chemistry & industry
Suppliers7 total
无锡丽恒昇生物医药科技有限公司15250805028 15250805028 · [email protected]
苏州岚云医药科技有限公司2332782371 · [email protected]
陕西缔都医药化工有限公司+86-029-81138252 +86-173 9270 1263 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 13913916777 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
南京药石科技股份有限公司4000255188 13327728092 · [email protected]
南京世洲生物科技有限公司025-85563444 15850508050 · [email protected]
Related reactions
2 records
Compound notes
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