Basic information
- CAS
7774-73-4- Standard SMILES
Sc1ccsc1- InChIKey
VSGXHZUTTFLSBC-UHFFFAOYSA-N- Molecular formula
- C4H4S2
- Average molar mass
- 116.2 g/mol
- Monoisotopic mass
- 115.97544213
Names & identifiers
- Preferred name
- 3-Thiophenethiol
- IUPAC
- thiophene-3-thiol
- English name
- thiophene-3-thiol
- Molecular formula
- C4H4S2
- Molecular weight
- 116.2
Names & synonyms
Thiophene-3-thiol3-Thiophenethiol3-mercaptothiopheneThiophen-3-thiolUNII-2PG6284B353-Thienyl hydrosulfideEINECS 231-880-62PG6284B35DTXSID6064799RefChem:95482DTXCID1047994VSGXHZUTTFLSBC-UHFFFAOYSA-N
Show more names
thiophene-3-thiol ISO 9001：2015 REACH3-mercaptothiophene,3-thienylmercaptan,3-thiophenethiol
7774-73-43-Thienyl mercaptanMFCD118701383-thiophenthiolSCHEMBL595580SCHEMBL595581SCHEMBL28012773AKOS015900012
Database identifiers
- CAS
7774-73-4- PubChem CID
- 82202
- DTXSID
DTXSID6064799- UNII
- 2PG6284B35
- EC Number
- 231-880-6
- Nikkaji
- J101.035B
Properties
Computed structural properties
- XLogP
- 2.1
- Topological polar surface area
- 29.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 0
- Heavy atoms
- 6
- Formal charge
- 0
- Complexity
- 44.8
Experimental & physicochemical properties
Flavoring AgentsEU Flavoring substances
Physicochemical properties
- Boiling point
- 171 °C · 171 °C
- Density
- 1.251 g/cm3 · 1.251 g/cm3(Temp: 25 °C)
- FLAVIS Number
- 15.082 · 15.082 | 3-Mercaptothiophene
- storage temp.
- 0 · Store at 0-8 °C
- pka
- 6.35 · 6.35±0.10(Predicted)
- Odor
- 0.01 % · at 0.01 % in propylene glycol. cooked meat garlic
- Odor Type
- meaty
- LogP
- 2.1 · 2.100 (est)
- FDA UNII
- 2 PG6284B35 · 2PG6284B35
- EPA Substance Registry System
- 3 · 3-Thiophenethiol (7774-73-4)
- Symbol(GHS)
- 2 · GHS02,GHS06
- Signal word
- Danger
- Hazard statements
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
H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]
P210, P233, P240, P241, P242, P243, P280, P303+P361+P353, P370+P378, P403+P235, 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
Regulatory InformationCommission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Safety data
- tsca
- TSCA listed
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS06
- Hazard statements
- H225-H301
- Precautionary statements
- P210-P233-P240-P241-P242-P243-P264-P270-P280-P303+P361+P353-P310-P330-P370+P378-P403+P235-P405-P501
Chemistry & industry
Uses & manufacturing
General Manufacturing Information3-Thiophenethiol: INACTIVE
Upstream & downstream products
Downstream products
Suppliers28 total
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
苏州启航生物科技有限公司18151111370 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
广州凯途化学有限公司18933936954 · [email protected]
南京诺利斯医药科技有限公司13901585132 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]
上海石洋化工有限公司021-56795766 · [email protected]
南京恰风和医药科技有限公司025-57018978 18251899859 · [email protected]
陕西缔都医药化工有限公司+86-29-87569262 +86-15003564040 · [email protected]
Related reactions
1 records
Compound notes
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