1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene

C10H11ClS — CID 148934846

IUPAC1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene
SMILESC[C@@H]1CC1Sc1ccccc1Cl
InChIInChI=1S/C10H11ClS/c1-7-6-10(7)12-9-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3/t7-,10?/m1/s1
InChIKeyPMQRGADGABGYBI-PVSHWOEXSA-N
MW198.72 g/mol
LogP3.84
Rot. Bonds2

About 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene

1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene (PubChem CID 148934846) has the molecular formula C10H11ClS and a molecular weight of 198.72 g/mol. Its IUPAC name is 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene.

Molecular Properties

Compound Name1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene
PubChem CID148934846
Molecular FormulaC10H11ClS
Molecular Weight198.72 g/mol
Exact Mass198.03
IUPAC Name1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene
SMILESC[C@@H]1CC1Sc1ccccc1Cl
InChIInChI=1S/C10H11ClS/c1-7-6-10(7)12-9-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3/t7-,10?/m1/s1
InChIKeyPMQRGADGABGYBI-PVSHWOEXSA-N
XLogP3.84
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.72
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene?
The IUPAC name of 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene (CID 148934846) is 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene.
What is the SMILES notation for 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene?
The canonical SMILES for 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene is C[C@@H]1CC1Sc1ccccc1Cl.
What is the InChIKey of 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene?
The InChIKey is PMQRGADGABGYBI-PVSHWOEXSA-N. The full InChI is InChI=1S/C10H11ClS/c1-7-6-10(7)12-9-5-3-2-4-8(9)11/h2-5,7,10H,6H2,1H3/t7-,10?/m1/s1.
What are the key properties of 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene?
1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene has a molecular weight of 198.72 g/mol, XLogP of 3.84, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2R)-2-methylcyclopropyl]sulfanylbenzene is sourced from PubChem (CID 148934846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).