2-Isopropylbenzenethiol

Modify Date: 2025-08-20 06:23:27

2-Isopropylbenzenethiol Structure
2-Isopropylbenzenethiol structure
Common Name 2-Isopropylbenzenethiol
CAS Number 6262-87-9 Molecular Weight 152.257
Density 1.0±0.1 g/cm3 Boiling Point 220.0±0.0 °C at 760 mmHg
Molecular Formula C9H12S Melting Point N/A
MSDS Chinese USA Flash Point 86.1±0.0 °C
Symbol GHS05
GHS05
Signal Word Danger

 Names

Name 2-Isopropylbenzenethiol
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.0±0.1 g/cm3
Boiling Point 220.0±0.0 °C at 760 mmHg
Molecular Formula C9H12S
Molecular Weight 152.257
Flash Point 86.1±0.0 °C
Exact Mass 152.065964
PSA 38.80000
LogP 3.86
Vapour Pressure 0.2±0.4 mmHg at 25°C
Index of Refraction 1.552
InChIKey QEDRUXIMTJVXFL-UHFFFAOYSA-N
SMILES CC(C)c1ccccc1S

 Safety Information

Symbol GHS05
GHS05
Signal Word Danger
Hazard Statements H314
Precautionary Statements P280-P305 + P351 + P338-P310
Personal Protective Equipment Faceshields;full-face respirator (US);Gloves;Goggles;multi-purpose combination respirator cartridge (US);type ABEK (EN14387) respirator filter
Hazard Codes C:Corrosive;
Risk Phrases R34
Safety Phrases S26-S27-S36/37/39-S45
RIDADR UN 3265 8/PG 2
WGK Germany 3
Packaging Group III
Hazard Class 8

 Synthetic Route

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2-Isopropylbenzenethiol Structure

2-Isopropylbenz...

CAS#:6262-87-9

Literature: Journal of the American Chemical Society, , vol. 70, p. 1561

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2-Isopropylbenzenethiol Structure

2-Isopropylbenz...

CAS#:6262-87-9

Literature: Journal of Organic Chemistry, , vol. 25, p. 232 - 233

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2-Isopropylbenzenethiol Structure

2-Isopropylbenz...

CAS#:6262-87-9

Literature: Journal of the Chemical Society, Perkin Transactions 2: Physical Organic Chemistry (1972-1999), , p. 1490 - 1495

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2-Isopropylbenzenethiol Structure

2-Isopropylbenz...

CAS#:6262-87-9

Literature: Journal of the American Chemical Society, , vol. 60, p. 2732

~%

2-Isopropylbenzenethiol Structure

2-Isopropylbenz...

CAS#:6262-87-9

Detail
Literature: Journal of the American Chemical Society, , vol. 60, p. 2454

 2-IsopropylbenzenethiolBioassay

View more

Name: NCI human tumor cell line growth inhibition assay. Data for the MCF7 Non-Small Cell L...
Source: DTP/NCI
Target: N/A
External Id: MCF7_OneDose
Name: Calculated partition coefficient (clogP)
Source: ChEMBL
Target: N/A
External Id: CHEMBL631418
Name: NCI human tumor cell line growth inhibition assay. Data for the IGROV1 Non-Small Cell...
Source: DTP/NCI
Target: N/A
External Id: IGROV1_OneDose
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 Synonyms

MFCD00004837
2-propan-2-ylbenzenethiol
2-Isopropylbenzenethiol
2-(propan-2-yl)benzenethiol
Benzenethiol, o-isopropyl-,
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