1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol

C7H12O2S — CID 163856921

IUPAC1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol
SMILESSC1(C[C@@H]2COCO2)CC1
InChIInChI=1S/C7H12O2S/c10-7(1-2-7)3-6-4-8-5-9-6/h6,10H,1-5H2/t6-/m1/s1
InChIKeyOZBXMCLBDUPDAR-ZCFIWIBFSA-N
MW160.24 g/mol
LogP1.21
Rot. Bonds2

About 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol

1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol (PubChem CID 163856921) has the molecular formula C7H12O2S and a molecular weight of 160.24 g/mol. Its IUPAC name is 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol.

Molecular Properties

Compound Name1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol
PubChem CID163856921
Molecular FormulaC7H12O2S
Molecular Weight160.24 g/mol
Exact Mass160.06
IUPAC Name1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol
SMILESSC1(C[C@@H]2COCO2)CC1
InChIInChI=1S/C7H12O2S/c10-7(1-2-7)3-6-4-8-5-9-6/h6,10H,1-5H2/t6-/m1/s1
InChIKeyOZBXMCLBDUPDAR-ZCFIWIBFSA-N
XLogP1.21
TPSA18.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

CID 59677627
CID 59677627
4-ethyl-1,3-dioxolane;methane
CID 158064342
6-ethyl-1,3,5-trioxepane
CID 139790395
1,3-dioxolan-4-ylmethyl(trimethyl)azanium bromide
CID 23273521
6-propyl-1,3,5-trioxepane
CID 139790394
1,2-bis(oxiran-2-ylmethyl)cyclohexane-1,2-diol
CID 151360819
2-(1,3-dioxolan-4-ylmethyl)guanidine
CID 159103052
1-(oxiran-2-ylmethyl)-7-oxabicyclo[4.1.0]heptane
CID 87186406
(4aR,8aR)-4,4a,8,8a-tetrahydro-[1,3]dioxino[5,4-d][1,3]dioxine
CID 13133853
4-(oxiran-2-ylmethyl)oxan-4-ol
CID 131631933
2-(1,3-dioxolan-4-ylmethyl)prop-2-enoic acid
CID 146306901
4-(2,2,3,3,4,4,5,5,5-nonafluoropentyl)-1,3-dioxolane
CID 138682995

Frequently Asked Questions

What is the IUPAC name of 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol?
The IUPAC name of 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol (CID 163856921) is 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol.
What is the SMILES notation for 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol?
The canonical SMILES for 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol is SC1(C[C@@H]2COCO2)CC1.
What is the InChIKey of 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol?
The InChIKey is OZBXMCLBDUPDAR-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H12O2S/c10-7(1-2-7)3-6-4-8-5-9-6/h6,10H,1-5H2/t6-/m1/s1.
What are the key properties of 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol?
1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol has a molecular weight of 160.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(4R)-1,3-dioxolan-4-yl]methyl]cyclopropane-1-thiol is sourced from PubChem (CID 163856921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).