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636-72-6 molecular structure
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thiophen-2-ylmethanol

ChemBase ID: 90307
Molecular Formular: C5H6OS
Molecular Mass: 114.16554
Monoisotopic Mass: 114.01393581
SMILES and InChIs

SMILES:
s1c(ccc1)CO
Canonical SMILES:
OCc1cccs1
InChI:
InChI=1S/C5H6OS/c6-4-5-2-1-3-7-5/h1-3,6H,4H2
InChIKey:
ZPHGMBGIFODUMF-UHFFFAOYSA-N

Cite this record

CBID:90307 http://www.chembase.cn/molecule-90307.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thiophen-2-ylmethanol
(thiophen-2-yl)methanol
IUPAC Traditional name
2-hydroxymethylthiophene
Synonyms
2-thienylmethanol
2-(Hydroxymethyl)thiophene
2-Thienyl carbinol
Thenyl alcohol
2-Thiophenemethanol
2-THENYL ALCOHOL
(Thien-2-yl)methanol
2-(Hydroxymethyl)thiophene
2-Thienylmethanol
Thiophen-2-ylMethanol
2-(羟甲基)噻吩
噻吩-2-甲醇
噻吩甲醇
2-噻吩甲醇
噻吩-2-甲醇
CAS Number
636-72-6
EC Number
211-264-3
MDL Number
MFCD00005454
Beilstein Number
383595
PubChem SID
24900125
162077127
PubChem CID
69467

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.519799  H Acceptors
H Donor LogD (pH = 5.5) 1.1187774 
LogD (pH = 7.4) 1.1187774  Log P 1.1187774 
Molar Refractivity 29.7638 cm3 Polarizability 11.452237 Å3
Polar Surface Area 20.23 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
0°C expand Show data source
Boiling Point
206-207°C expand Show data source
206-207°C expand Show data source
207 °C(lit.) expand Show data source
Flash Point
>110°C expand Show data source
>110°C(230°F) expand Show data source
110 °C expand Show data source
230 °F expand Show data source
Density
1.205 expand Show data source
1.205 g/mL at 25 °C(lit.) expand Show data source
1.206 expand Show data source
Refractive Index
1.5650 expand Show data source
n20/D 1.564(lit.) expand Show data source
Storage Warning
Air Sensitive expand Show data source
Irritant/Keep Cold expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Safety Statements
24/25 expand Show data source
TSCA Listed
expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US) expand Show data source
Storage Temperature
2-8°C expand Show data source
Purity
97% expand Show data source
98% expand Show data source
Certificate of Analysis
Download expand Show data source
Empirical Formula (Hill Notation)
C5H6OS expand Show data source

DETAILS

DETAILS

MP Biomedicals MP Biomedicals Sigma Aldrich Sigma Aldrich
MP Biomedicals - 05213322 external link
MP Biomedicals Rare Chemical collection
Sigma Aldrich - T32654 external link
Packaging
25, 100 g in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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