2-methylidenethiolan-3-ol

C5H8OS — CID 59525187

IUPAC2-methylidenethiolan-3-ol
SMILESC=C1SCCC1O
InChIInChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h5-6H,1-3H2
InChIKeyISXUUNCNHMKNTG-UHFFFAOYSA-N
MW116.19 g/mol
LogP1.00
Rot. Bonds

About 2-methylidenethiolan-3-ol

2-methylidenethiolan-3-ol (PubChem CID 59525187) has the molecular formula C5H8OS and a molecular weight of 116.19 g/mol. Its IUPAC name is 2-methylidenethiolan-3-ol.

Molecular Properties

Compound Name2-methylidenethiolan-3-ol
PubChem CID59525187
Molecular FormulaC5H8OS
Molecular Weight116.19 g/mol
Exact Mass116.03
IUPAC Name2-methylidenethiolan-3-ol
SMILESC=C1SCCC1O
InChIInChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h5-6H,1-3H2
InChIKeyISXUUNCNHMKNTG-UHFFFAOYSA-N
XLogP1.00
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.19
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-Hydroxythiopyran, 2,3-dihydro-
CID 560299
(Z)-1,2-bis(methylsulfanyl)pent-1-en-3-ol
CID 11309862
5-(Methylsulfanyl)pent-1-en-3-ol
CID 46866736
1-(1,3-Dithiolan-4-yl)prop-2-en-1-ol
CID 88814800
(3S)-4-methylidenethiolan-3-ol
CID 89323981
(E)-thiolan-2-ylidenemethanol
CID 139383072
(2R,3S,5S)-2,5-dimethyl-4-methylidenethiolan-3-ol
CID 163988458
2-Methylidenethiolane-3,4-diol
CID 170781719
(Z)-1-deuterio-1,2-bis(methylsulfanyl)pent-1-en-3-ol
CID 11355842
2-Methylsulfanylpent-1-en-3-ol
CID 12946109
1-(Thiolan-2-yl)prop-2-en-1-ol
CID 105108417
5-Ethylsulfanylpent-1-en-3-ol
CID 116504596

Frequently Asked Questions

What is the IUPAC name of 2-methylidenethiolan-3-ol?
The IUPAC name of 2-methylidenethiolan-3-ol (CID 59525187) is 2-methylidenethiolan-3-ol.
What is the SMILES notation for 2-methylidenethiolan-3-ol?
The canonical SMILES for 2-methylidenethiolan-3-ol is C=C1SCCC1O.
What is the InChIKey of 2-methylidenethiolan-3-ol?
The InChIKey is ISXUUNCNHMKNTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h5-6H,1-3H2.
What are the key properties of 2-methylidenethiolan-3-ol?
2-methylidenethiolan-3-ol has a molecular weight of 116.19 g/mol, XLogP of 1.00, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenethiolan-3-ol is sourced from PubChem (CID 59525187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).