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10304-16-2 molecular structure
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thietan-3-ol

ChemBase ID: 309578
Molecular Formular: C3H6OS
Molecular Mass: 90.14414
Monoisotopic Mass: 90.01393581
SMILES and InChIs

SMILES:
S1CC(C1)O
Canonical SMILES:
OC1CSC1
InChI:
InChI=1S/C3H6OS/c4-3-1-5-2-3/h3-4H,1-2H2
InChIKey:
YCGJWFCBFZPGJK-UHFFFAOYSA-N

Cite this record

CBID:309578 http://www.chembase.cn/molecule-309578.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
thietan-3-ol
IUPAC Traditional name
thietan-3-ol
Synonyms
thietan-3-ol
3-thietanol
CAS Number
10304-16-2
MDL Number
MFCD11848695

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 14.875206  Rotatable Bonds
Lipinski's Rule of Five true  H Acceptors
H Donor LogD (pH = 5.5) -0.097651236 
LogD (pH = 7.4) -0.09765124  Log P -0.097651236 
Molar Refractivity 23.2916 cm3 Polarizability 9.220875 Å3
Polar Surface Area 20.23 Å2

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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