(1-cyclopropylcyclopropyl)sulfanylbenzene

C12H14S — CID 10774057

IUPAC(1-cyclopropylcyclopropyl)sulfanylbenzene
SMILESc1ccc(SC2(C3CC3)CC2)cc1
InChIInChI=1S/C12H14S/c1-2-4-11(5-3-1)13-12(8-9-12)10-6-7-10/h1-5,10H,6-9H2
InChIKeyCRVPEYBUZBLYAP-UHFFFAOYSA-N
MW190.31 g/mol
LogP3.72
Rot. Bonds3

About (1-cyclopropylcyclopropyl)sulfanylbenzene

(1-cyclopropylcyclopropyl)sulfanylbenzene (PubChem CID 10774057) has the molecular formula C12H14S and a molecular weight of 190.31 g/mol. Its IUPAC name is (1-cyclopropylcyclopropyl)sulfanylbenzene.

Molecular Properties

Compound Name(1-cyclopropylcyclopropyl)sulfanylbenzene
PubChem CID10774057
Molecular FormulaC12H14S
Molecular Weight190.31 g/mol
Exact Mass190.08
IUPAC Name(1-cyclopropylcyclopropyl)sulfanylbenzene
SMILESc1ccc(SC2(C3CC3)CC2)cc1
InChIInChI=1S/C12H14S/c1-2-4-11(5-3-1)13-12(8-9-12)10-6-7-10/h1-5,10H,6-9H2
InChIKeyCRVPEYBUZBLYAP-UHFFFAOYSA-N
XLogP3.72
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.31
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1-cyclopropylcyclopropyl)sulfanylbenzene?
The IUPAC name of (1-cyclopropylcyclopropyl)sulfanylbenzene (CID 10774057) is (1-cyclopropylcyclopropyl)sulfanylbenzene.
What is the SMILES notation for (1-cyclopropylcyclopropyl)sulfanylbenzene?
The canonical SMILES for (1-cyclopropylcyclopropyl)sulfanylbenzene is c1ccc(SC2(C3CC3)CC2)cc1.
What is the InChIKey of (1-cyclopropylcyclopropyl)sulfanylbenzene?
The InChIKey is CRVPEYBUZBLYAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14S/c1-2-4-11(5-3-1)13-12(8-9-12)10-6-7-10/h1-5,10H,6-9H2.
What are the key properties of (1-cyclopropylcyclopropyl)sulfanylbenzene?
(1-cyclopropylcyclopropyl)sulfanylbenzene has a molecular weight of 190.31 g/mol, XLogP of 3.72, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropylcyclopropyl)sulfanylbenzene is sourced from PubChem (CID 10774057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).