(2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol

C10H18OS — CID 10702724

IUPAC(2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol
SMILESCC(C)/C=C1\SCCCC1(C)O
InChIInChI=1S/C10H18OS/c1-8(2)7-9-10(3,11)5-4-6-12-9/h7-8,11H,4-6H2,1-3H3/b9-7-
InChIKeyQJKZMZTWYGCUCY-CLFYSBASSA-N
MW186.32 g/mol
LogP2.80
Rot. Bonds1

About (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol

(2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol (PubChem CID 10702724) has the molecular formula C10H18OS and a molecular weight of 186.32 g/mol. Its IUPAC name is (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol.

Molecular Properties

Compound Name(2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol
PubChem CID10702724
Molecular FormulaC10H18OS
Molecular Weight186.32 g/mol
Exact Mass186.11
IUPAC Name(2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol
SMILESCC(C)/C=C1\SCCCC1(C)O
InChIInChI=1S/C10H18OS/c1-8(2)7-9-10(3,11)5-4-6-12-9/h7-8,11H,4-6H2,1-3H3/b9-7-
InChIKeyQJKZMZTWYGCUCY-CLFYSBASSA-N
XLogP2.80
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.32
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,3-Dithian-2-yl)cyclopent-2-en-1-ol
CID 12473102
1-[[Iodo(dimethyl)-lambda4-sulfanyl]methyl]cyclohex-2-en-1-ol
CID 13530218
(1-Hydroxycyclohex-2-en-1-yl)methyl-dimethylsulfanium iodide
CID 86134012
3-(2,3-Dihydrothiophen-5-yl)hexan-3-ol
CID 134996483
2-(2,3-Dimethyl-2,3-dihydrothiophen-5-yl)propan-2-ol
CID 167269498
1-[Tert-butylsulfanyl(methylsulfanyl)methyl]cyclohex-2-en-1-ol
CID 10634196
5,5-Dimethyl-3-(2-methylprop-1-enyl)thian-3-ol
CID 79947555
5-Methyl-3-(2-methylprop-1-enyl)thiolan-3-ol
CID 79949343
2-Methyl-3-(2-methylprop-1-enyl)thian-3-ol
CID 79951573
4,4-Dimethyl-3-(2-methylprop-1-enyl)thian-3-ol
CID 79956345
(1-Hydroxycyclohex-2-en-1-yl)methyl-dimethylsulfanium
CID 86134013
(2E)-2-(thian-3-ylmethylidene)butan-1-ol
CID 133620416

Frequently Asked Questions

What is the IUPAC name of (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol?
The IUPAC name of (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol (CID 10702724) is (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol.
What is the SMILES notation for (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol?
The canonical SMILES for (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol is CC(C)/C=C1\SCCCC1(C)O.
What is the InChIKey of (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol?
The InChIKey is QJKZMZTWYGCUCY-CLFYSBASSA-N. The full InChI is InChI=1S/C10H18OS/c1-8(2)7-9-10(3,11)5-4-6-12-9/h7-8,11H,4-6H2,1-3H3/b9-7-.
What are the key properties of (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol?
(2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol has a molecular weight of 186.32 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-3-methyl-2-(2-methylpropylidene)thian-3-ol is sourced from PubChem (CID 10702724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).