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Substance Name: Thiophene
RN: 110-02-1
UNII: SMB37IQ40B
InChIKey: YTPLMLYBLZKORZ-UHFFFAOYSA-N
Note
- A monocyclic heteroarene furan in which the oxygen atom is replaced by a sulfur.
Molecular Formula
- C4-H4-S
Molecular Weight
- 84.1416
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- Thiophene
MeSH Heading
- Thiophenes
Synonyms
- 5-17-01-00297 (Beilstein Handbook Reference)
- AI3-15417
- BRN 0103222
- CCRIS 2935
- CP 34
- Divinylene sulfide
- EC 203-729-4
- EINECS 203-729-4
- Furan, thio-
- HSDB 130
- Huile H50
- Huile HSO
- NSC 405073
- Thiacyclopentadiene
- Thiaphene
- Thiofen
- Thiofen [Czech]
- Thiofuram
- Thiofuran
- Thiofurfuran
- Thiole
- Thiophen
- Thiophene
- Thiotetrole
- UNII-SMB37IQ40B
- USAF EK-1860
Systematic Name
- Thiophene
Superlist Names
- Thiophene
- Thiophene [UN2414] [Flammable liquid]
- UN2414
Registry Numbers
CAS Registry Number
- 110-02-1
FDA UNII
- SMB37IQ40B
Other Registry Number
- 8014-23-1
System Generated Number
- 0000110021
Structure Descriptors
InChI
InChI=1S/C4H4S/c1-2-4-5-3-1/h1-4HInChIKey
YTPLMLYBLZKORZ-UHFFFAOYSA-NSmiles
c1ccsc1Toxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| guinea pig | LD50 | skin | > 20mL/kg (20mL/kg) | National Technical Information Service. Vol. OTS0555960, | |
| mouse | LC50 | inhalation | 9500mg/m3/2H (9500mg/m3) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966. | |
| mouse | LD50 | intraperitoneal | 100mg/kg (100mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | oral | 420mg/kg (420mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966. | |
| rabbit | LD50 | subcutaneous | 830mg/kg (830mg/kg) | "Prehled Prumyslove Toxikologie; Organicke Latky," Marhold, J., Prague, Czechoslovakia, Avicenum, 1986Vol. -, Pg. 1089, 1986. | |
| rat | LCLo | inhalation | 2000ppm/6H (2000ppm) | Toxicologist. Vol. 8, Pg. 141, 1988. | |
| rat | LD50 | oral | 1400mg/kg (1400mg/kg) | Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 10(2), Pg. 57, 1966. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | -3.94E+01 | deg C | EXP | |
| Boiling Point | 84 | deg C | EXP | |
| log P (octanol-water) | 1.81 | (none) | EXP | |
| Water Solubility | 3010 | mg/L | 25 | EXP |
| Vapor Pressure | 79.7 | mm Hg | 25 | EXP |
| Henry's Law Constant | 2.92E-03 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 9.53E-12 | cm3/molecule-sec | 25 | EXP |
Physical property data is provided to ChemIDplus by SRC, Inc.