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Substance Name: 2-Aminothiophenol
RN: 137-07-5
UNII: KIT82KOK2Z
InChIKey: VRVRGVPWCUEOGV-UHFFFAOYSA-N
Molecular Formula
- C6-H7-N-S
Molecular Weight
- 125.194
- All
- Links to Resources
- Names & Synonyms
- Registry Numbers
- Structure Descriptors
- Toxicity
- Physical Properties
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Names and Synonyms
Name of Substance
- 2-Aminothiophenol
Synonyms
- 1-Amino-2-mercaptobenzene
- 2-Aminobenzenethiol
- 2-Aminothiophenol
- 2-Mercaptaniline
- 2-Mercaptoaniline
- 4-13-00-00910 (Beilstein Handbook Reference)
- AI3-52263
- BRN 0606076
- CCRIS 9096
- EINECS 205-277-3
- NSC 4738
- o-Aminobenzenethiol
- o-Aminothiophenol
- o-Mercaptoaniline
- UNII-KIT82KOK2Z
- USAF EK-4376
Systematic Names
- 2-Aminobenzenethiol
- Benzenethiol, 2-amino-
- Benzenethiol, o-amino-
Registry Numbers
CAS Registry Number
- 137-07-5
FDA UNII
- KIT82KOK2Z
Related Registry Number
- 3292-42-0 (hydrochloride)
System Generated Number
- 0000137075
Structure Descriptors
InChI
InChI=1S/C6H7NS/c7-5-3-1-2-4-6(5)8/h1-4,8H,7H2InChIKey
VRVRGVPWCUEOGV-UHFFFAOYSA-NSmiles
Nc1ccccc1SToxicity
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intraperitoneal | 25mg/kg (25mg/kg) | National Technical Information Service. Vol. AD277-689, | |
| mouse | LD50 | intravenous | 100mg/kg (100mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#02532, | |
| rat | LDLo | oral | 500mg/kg (500mg/kg) | BLOOD: METHEMOGLOBINEMIA-CARBOXYHEMOGLOBIN | "Toxicology of Drugs and Chemicals," Deichmann, W.B., New York, Academic Press, Inc., 1969Vol. -, Pg. 90, 1969. |
Physical Properties
| Physical Property | Value | Units | Temp (deg C) | Source |
|---|---|---|---|---|
| Melting Point | 26 | deg C | EXP | |
| Boiling Point | 234 | deg C | EXP | |
| pKa Dissociation Constant | 3 | (none) | 20 | EXP |
| log P (octanol-water) | 1.43 | (none) | EXP | |
| Water Solubility | 5770 | mg/L | 25 | EST |
| Vapor Pressure | 0.024 | mm Hg | 25 | EST |
| Henry's Law Constant | 1.85E-07 | atm-m3/mole | 25 | EST |
| Atmospheric OH Rate Constant | 5.81E-11 | cm3/molecule-sec | 25 | EST |
Physical property data is provided to ChemIDplus by SRC, Inc.