Thenyl mercaptan

HCID 80408
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
6258-63-5
Standard SMILES
SCc1cccs1
InChIKey
GCZQHDFWKVMZOE-UHFFFAOYSA-N
Molecular formula
C5H6S2
Average molar mass
130.2 g/mol
Monoisotopic mass
129.99109219

Names & identifiers

Preferred name
Thenyl mercaptan
IUPAC
thiophen-2-ylmethanethiol
English name
2-Thiophenemethanethiol
Molecular formula
C5H6S2
Molecular weight
130.23

Names & synonyms

2-Thiophenemethanethiol2-Thenylmercaptan6258-63-52-ThienylmethanethiolThenyl mercaptanthiophen-2-ylmethanethiol2-(Mercaptomethyl)thiopheneThiophene-2-methanethiol(thiophen-2-yl)methanethiol2-thienylmethyl mercaptan9JML279XS6EINECS 228-394-1
Show more names
2-Thenyl2-Thenylmercaptan ,98%2-Thiophenemethenethiol2-THIENYLMETHYLMERCAPTAN
DTXSID40211618RefChem:897609DTXCID70134109MFCD001071352-thenylthiolThiophen-2-yl-methanethiol2-Thenyl mercaptanCHEMBL152603

Database identifiers

CAS
6258-63-5
PubChem CID
80408
DTXSID
DTXSID40211618
ChEMBL
CHEMBL152603
UNII
9JML279XS6
EC Number
228-394-1
Nikkaji
J100.416F

Properties

Computed structural properties

XLogP
1.8
Topological polar surface area
29.2 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
2
Rotatable bonds
1
Heavy atoms
7

Experimental & physicochemical properties

Flavoring AgentsEU Flavoring substances
Solubilityslightly
Boiling Point166.00 °C. @ 760.00 mm Hg

Physicochemical properties

Boiling point
90 °C · 90 °C (15 mmHg)
Density
1.6 · 1.6
refractive index
1.602 · 1.602-1.604
FLAVIS Number
15.108 · 15.108 | 2-Thiophenemethanethiol
Flash point
81 °C · 81 °C
storage temp.
2 · 2-8°C, stored under nitrogen

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H302 (> 99.9%): Harmful if swallowed [Warning Acute toxicity, oral]

P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 1377 reports by companies from 2 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: 2-Thiophenemethanethiol

Commission Regulation (EC) No 1565/2000 (Repealed by Com. Implementing Reg. (EU) No 872/2012)

2-Thiophenemethanethiol: Does not have an individual approval but may be used under an appropriate group standard

Hazard Classes and CategoriesAcute Tox. 4 (> 99.9%)

Safety data

wgk
WGK 3
hs_code
29349990
risk_code
36-43-22
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi

Chemistry & industry

Pharmacology

Cellular LocationsMembrane
Applications · 1 item

Uses2-Thiophenemethanethiol is a terpene shown to inhibit matrix metalloproteinase (MMP) activity in the presence of hydrogen peroxide. The structure of 2-Thiophenemethanethiol was determined by x-ray crystallography and had a strong intramolecular hydrogen bond. It also contains a carbonyl group and a disulphide bridge, which are essential for its anti-inflammatory properties. 2-Thiophenemethanethiol is a precursor for the synthesis of anti-inflammatory drugs that are used to treat arthritis and other inflammatory conditions.

Upstream & downstream products

Suppliers74 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
郑州阿尔法化工有限公司+86-18530059196 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
武汉欣扬瑞和化学科技有限公司153-07155313 15307155313 · [email protected]

Related reactions

27 records
New reaction record

Compound notes

Loading…