(1-propan-2-ylsulfanylcyclopropyl)methanol

C7H14OS — CID 117034830

IUPAC(1-propan-2-ylsulfanylcyclopropyl)methanol
SMILESCC(C)SC1(CO)CC1
InChIInChI=1S/C7H14OS/c1-6(2)9-7(5-8)3-4-7/h6,8H,3-5H2,1-2H3
InChIKeyWMQPAWOHMLIIEK-UHFFFAOYSA-N
MW146.25 g/mol
LogP1.65
Rot. Bonds3

About (1-propan-2-ylsulfanylcyclopropyl)methanol

(1-propan-2-ylsulfanylcyclopropyl)methanol (PubChem CID 117034830) has the molecular formula C7H14OS and a molecular weight of 146.25 g/mol. Its IUPAC name is (1-propan-2-ylsulfanylcyclopropyl)methanol.

Molecular Properties

Compound Name(1-propan-2-ylsulfanylcyclopropyl)methanol
PubChem CID117034830
Molecular FormulaC7H14OS
Molecular Weight146.25 g/mol
Exact Mass146.08
IUPAC Name(1-propan-2-ylsulfanylcyclopropyl)methanol
SMILESCC(C)SC1(CO)CC1
InChIInChI=1S/C7H14OS/c1-6(2)9-7(5-8)3-4-7/h6,8H,3-5H2,1-2H3
InChIKeyWMQPAWOHMLIIEK-UHFFFAOYSA-N
XLogP1.65
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.25
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-propan-2-ylsulfanylcyclopropyl)methanol?
The IUPAC name of (1-propan-2-ylsulfanylcyclopropyl)methanol (CID 117034830) is (1-propan-2-ylsulfanylcyclopropyl)methanol.
What is the SMILES notation for (1-propan-2-ylsulfanylcyclopropyl)methanol?
The canonical SMILES for (1-propan-2-ylsulfanylcyclopropyl)methanol is CC(C)SC1(CO)CC1.
What is the InChIKey of (1-propan-2-ylsulfanylcyclopropyl)methanol?
The InChIKey is WMQPAWOHMLIIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OS/c1-6(2)9-7(5-8)3-4-7/h6,8H,3-5H2,1-2H3.
What are the key properties of (1-propan-2-ylsulfanylcyclopropyl)methanol?
(1-propan-2-ylsulfanylcyclopropyl)methanol has a molecular weight of 146.25 g/mol, XLogP of 1.65, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-propan-2-ylsulfanylcyclopropyl)methanol is sourced from PubChem (CID 117034830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).