Home > Compound List > Compound details
869941-84-4 molecular structure
click picture or here to close

2-{[(3-methylthiophen-2-yl)methyl]amino}ethan-1-ol

ChemBase ID: 312529
Molecular Formular: C8H13NOS
Molecular Mass: 171.25992
Monoisotopic Mass: 171.07178504
SMILES and InChIs

SMILES:
c1(c(ccs1)C)CNCCO
Canonical SMILES:
OCCNCc1sccc1C
InChI:
InChI=1S/C8H13NOS/c1-7-2-5-11-8(7)6-9-3-4-10/h2,5,9-10H,3-4,6H2,1H3
InChIKey:
YVOGNJUGEMHXNN-UHFFFAOYSA-N

Cite this record

CBID:312529 http://www.chembase.cn/molecule-312529.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-{[(3-methylthiophen-2-yl)methyl]amino}ethan-1-ol
IUPAC Traditional name
2-{[(3-methylthiophen-2-yl)methyl]amino}ethanol
Synonyms
2-{[(3-methyl-2-thienyl)methyl]amino}ethanol
CAS Number
869941-84-4
MDL Number
MFCD04594770

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 9071449 external link Add to cart
Data Source Data ID Price
ChemBridge
9071449 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.74772  LogD (pH = 7.4) -0.24377516 
Log P 1.2677954  Molar Refractivity 47.5294 cm3
Polarizability 18.40677 Å3 Polar Surface Area 32.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle