[4-(difluoromethyl)thian-4-yl]methanol

C7H12F2OS — CID 84768778

IUPAC[4-(difluoromethyl)thian-4-yl]methanol
SMILESOCC1(C(F)F)CCSCC1
InChIInChI=1S/C7H12F2OS/c8-6(9)7(5-10)1-3-11-4-2-7/h6,10H,1-5H2
InChIKeyHHZWRKPJTCKFDW-UHFFFAOYSA-N
MW182.23 g/mol
LogP1.76
Rot. Bonds2

About [4-(difluoromethyl)thian-4-yl]methanol

[4-(difluoromethyl)thian-4-yl]methanol (PubChem CID 84768778) has the molecular formula C7H12F2OS and a molecular weight of 182.23 g/mol. Its IUPAC name is [4-(difluoromethyl)thian-4-yl]methanol.

Molecular Properties

Compound Name[4-(difluoromethyl)thian-4-yl]methanol
PubChem CID84768778
Molecular FormulaC7H12F2OS
Molecular Weight182.23 g/mol
Exact Mass182.06
IUPAC Name[4-(difluoromethyl)thian-4-yl]methanol
SMILESOCC1(C(F)F)CCSCC1
InChIInChI=1S/C7H12F2OS/c8-6(9)7(5-10)1-3-11-4-2-7/h6,10H,1-5H2
InChIKeyHHZWRKPJTCKFDW-UHFFFAOYSA-N
XLogP1.76
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(difluoromethyl)thian-4-yl]methanol?
The IUPAC name of [4-(difluoromethyl)thian-4-yl]methanol (CID 84768778) is [4-(difluoromethyl)thian-4-yl]methanol.
What is the SMILES notation for [4-(difluoromethyl)thian-4-yl]methanol?
The canonical SMILES for [4-(difluoromethyl)thian-4-yl]methanol is OCC1(C(F)F)CCSCC1.
What is the InChIKey of [4-(difluoromethyl)thian-4-yl]methanol?
The InChIKey is HHZWRKPJTCKFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F2OS/c8-6(9)7(5-10)1-3-11-4-2-7/h6,10H,1-5H2.
What are the key properties of [4-(difluoromethyl)thian-4-yl]methanol?
[4-(difluoromethyl)thian-4-yl]methanol has a molecular weight of 182.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)thian-4-yl]methanol is sourced from PubChem (CID 84768778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).