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Thiane | SBID = 1267 | Compound |
Structure
Molecular Properties
Interactions: |
2
|
PubChem TPSA/Å2: |
25.3 |
Ertl TPSA/Å2: |
|
Hydrophilicity (PubChem XLogP): |
1.7 |
Hydrophilicity (Cheng XLogP3): |
|
Charge: |
0.0 |
Number of H-Bond Donors: |
0.0 |
Number of H-Bond Acceptors: |
1.0 |
Number of Stereogenic Bonds (E/Z): |
0.0 |
Number of Stereogenic Atoms (R/S): |
0.0 |
3D Volume/Å3: |
80.8 |
Sum Formula: |
C5H10S |
M / g/mol: |
102.2 |
Complexity: |
30.0 |
Number of Conformers: |
3.0 |
Identifiers
-
Tags:
typical guest
-
Name:
Thiane
-
Preferred Abbreviation:
Thiane
-
IUPAC Name:
thiane
-
CAS:
1613-51-0
-
CID:
15367
-
InChiKey:
YPWFISCTZQNZAU-UHFFFAOYSA-N
-
InChi:
InChI=1S/C5H10S/c1-2-4-6-5-3-1/h1-5H2
-
CanoSmiles:
C1CCSCC1
-
IsoSmiles:
C1CCSCC1