(2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol

C8H14S2 — CID 101047634

IUPAC(2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol
SMILESC=C[C@@H](CS)[C@@H](C=C)CS
InChIInChI=1S/C8H14S2/c1-3-7(5-9)8(4-2)6-10/h3-4,7-10H,1-2,5-6H2/t7-,8-/m0/s1
InChIKeyLFFYESZZFNGQCQ-YUMQZZPRSA-N
MW174.33 g/mol
LogP2.45
Rot. Bonds5

About (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol

(2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol (PubChem CID 101047634) has the molecular formula C8H14S2 and a molecular weight of 174.33 g/mol. Its IUPAC name is (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol.

Molecular Properties

Compound Name(2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol
PubChem CID101047634
Molecular FormulaC8H14S2
Molecular Weight174.33 g/mol
Exact Mass174.05
IUPAC Name(2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol
SMILESC=C[C@@H](CS)[C@@H](C=C)CS
InChIInChI=1S/C8H14S2/c1-3-7(5-9)8(4-2)6-10/h3-4,7-10H,1-2,5-6H2/t7-,8-/m0/s1
InChIKeyLFFYESZZFNGQCQ-YUMQZZPRSA-N
XLogP2.45
TPSA0.00 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.33
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Methylpentenylmercaptan
CID 74054429
4-(4H-thiopyran-4-yl)-4H-thiopyran
CID 135053093
(E)-4-methylpent-1-ene-1-thiol
CID 23471333
3-Methylpent-4-ene-1-thiol
CID 56986162
2-Methylpent-4-ene-1-thiol
CID 57069272
2-Ethylbut-3-ene-1-thiol
CID 57080904
3-Methylpent-4-ene-2-thiol
CID 57118817
3-Ethenylpentane-1,5-dithiol
CID 87461359
4-Methylpent-1-ene-3-thiol
CID 87508175
(E)-3-methylpent-1-ene-1-thiol
CID 87524449
3-(Sulfanylmethyl)pent-4-ene-2-thione
CID 88789430
5-(Disulfanyl)-4-methylpent-1-ene
CID 139390893

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol?
The IUPAC name of (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol (CID 101047634) is (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol.
What is the SMILES notation for (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol?
The canonical SMILES for (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol is C=C[C@@H](CS)[C@@H](C=C)CS.
What is the InChIKey of (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol?
The InChIKey is LFFYESZZFNGQCQ-YUMQZZPRSA-N. The full InChI is InChI=1S/C8H14S2/c1-3-7(5-9)8(4-2)6-10/h3-4,7-10H,1-2,5-6H2/t7-,8-/m0/s1.
What are the key properties of (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol?
(2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol has a molecular weight of 174.33 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-2,3-bis(ethenyl)butane-1,4-dithiol is sourced from PubChem (CID 101047634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).