(Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol

C10H18S2 — CID 98086898

IUPAC(Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol
SMILESCC(C)[C@H]1CC[C@](C)(/C=C\S)S1
InChIInChI=1S/C10H18S2/c1-8(2)9-4-5-10(3,12-9)6-7-11/h6-9,11H,4-5H2,1-3H3/b7-6-/t9-,10-/m1/s1
InChIKeyPIZZPGWXGGJZBV-ITMFEAPISA-N
MW202.39 g/mol
LogP3.74
Rot. Bonds2

About (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol

(Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol (PubChem CID 98086898) has the molecular formula C10H18S2 and a molecular weight of 202.39 g/mol. Its IUPAC name is (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol.

Molecular Properties

Compound Name(Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol
PubChem CID98086898
Molecular FormulaC10H18S2
Molecular Weight202.39 g/mol
Exact Mass202.08
IUPAC Name(Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol
SMILESCC(C)[C@H]1CC[C@](C)(/C=C\S)S1
InChIInChI=1S/C10H18S2/c1-8(2)9-4-5-10(3,12-9)6-7-11/h6-9,11H,4-5H2,1-3H3/b7-6-/t9-,10-/m1/s1
InChIKeyPIZZPGWXGGJZBV-ITMFEAPISA-N
XLogP3.74
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.39
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol?
The IUPAC name of (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol (CID 98086898) is (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol.
What is the SMILES notation for (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol?
The canonical SMILES for (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol is CC(C)[C@H]1CC[C@](C)(/C=C\S)S1.
What is the InChIKey of (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol?
The InChIKey is PIZZPGWXGGJZBV-ITMFEAPISA-N. The full InChI is InChI=1S/C10H18S2/c1-8(2)9-4-5-10(3,12-9)6-7-11/h6-9,11H,4-5H2,1-3H3/b7-6-/t9-,10-/m1/s1.
What are the key properties of (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol?
(Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol has a molecular weight of 202.39 g/mol, XLogP of 3.74, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-[(2R,5R)-2-methyl-5-propan-2-ylthiolan-2-yl]ethenethiol is sourced from PubChem (CID 98086898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).