Thiophene-2-thiol (CAS 7774-74-5) — formula C4H4S2, molecular weight 116.2; category organic chemicals.
Documented applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Thiophene-2-thiol is a carbon-based organic compound with CAS registry number 7774-74-5 and molecular formula C4H4S2 (molecular weight 116.2), belonging to the organic chemicals segment of chemical raw materials.
CAS number: 7774-74-5
Its molecular formula C4H4S2 comprises 4 C, 4 H, 2 S atoms.
Also known as: Thiophene-2-thiol · 2-Mercaptothiophene
Category: organic chemicals
The CAS registry number of Thiophene-2-thiol is 7774-74-5.
Molecular formula C4H4S2, molecular weight 116.2.
It is also registered under: Thiophene-2-thiol, 2-Mercaptothiophene.
Recorded applications: Use Classification: Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes, Flavoring Agents -> JECFA Flavorings Index, Flavouring Agent -> FLAVOURING_AGENT -> JECFA Functional Classes.
Category: Organic Chemicals.
Public-database records for Thiophene-2-thiol (CAS 7774-74-5), reproduced here for independent cross-checking.
| GHS notification summary | 0.1% (1 / 1423) |
|---|---|
| Reported hazard statements | H302 (96.3%), H312 (96%), H332 (96.3%) |
This chemical does not meet GHS hazard criteria for < 0.1% (1 of 1423) of reports.
H302 (96.3%): Harmful if swallowed [Warning Acute toxicity, oral]
| Regulatory & Food Contact | EU Flavoring substances FDA Substance added to food: FLAVORING AGENT OR ADJUVANT Flavoring Agents FLAVOURING_AGENT: Flavouring Agent Coffee No safety concern at current levels of intake when used as a flavouring agent |
|---|---|
| GHS notification summary | 0.1% (1 / 1423) |
| 沸点 | 166.00 °C. @ 760.00 mm Hg |
|---|---|
| 沸点 | 166 °C |
| 密度 | 1.250-1.255 |
| 折射率 | 1.618-1.622 |
| CAS Registry Number | 7774-74-5 |
|---|---|
| PubChem CID | 522674 |
| 分子式 | C4H4S2 |
| IUPAC 名称 | thiophene-2-thiol |
| UNII（FDA） | F3LB1437XQ |
| FEMA 编号 | 3062 |
| JECFA 编号 | 1052 |
Thiophene-2-thiol; 2-Thiophenethiol; 7774-74-5; 2-Thienyl mercaptan; 2-thienylmercaptan; FEMA No. 3062; UNII-F3LB1437XQ; F3LB1437XQ; 2-THIENYL MERCAPTAN [FHFI]; EINECS 231-881-1; DTXSID40228362; RefChem:89471; DTXCID60150853; SWEDAZLCYJDAGW-UHFFFAOYSA-N; 2-Mercaptothiophene; thiophenethiol
| 分子量 | 116.2 |
|---|---|
| XLogP3 | 2.2 |
| 氢键供体数 | 1 |
| 氢键受体数 | 2 |
| 可旋转键数 | 0 |
| 精确质量 | 115.97544247 |
| 单同位素质量 | 115.97544247 |
| 拓扑极性表面积 | 29.2 |
| 重原子数 | 6 |
| 形式电荷 | 0 |
Thiophene-2-thiol · CAS 7774-74-5 · C4H4S2. UNII F3LB1437XQ. 沸点: 166.00 °C. @ 760.00 mm Hg; 沸点: 166 °C; 密度: 1.250-1.255.
Source: PubChem / Wikidata; the batch COA governs where values differ.
Supplier: Jinan Shenghe Chemical Co., Ltd. · Reply within one business day.