4-propa-1,2-dienylthiane

C8H12S — CID 145483614

IUPAC4-propa-1,2-dienylthiane
SMILESC=C=CC1CCSCC1
InChIInChI=1S/C8H12S/c1-2-3-8-4-6-9-7-5-8/h3,8H,1,4-7H2
InChIKeyYHJGMIGMDCGKNX-UHFFFAOYSA-N
MW140.25 g/mol
LogP2.47
Rot. Bonds1

About 4-propa-1,2-dienylthiane

4-propa-1,2-dienylthiane (PubChem CID 145483614) has the molecular formula C8H12S and a molecular weight of 140.25 g/mol. Its IUPAC name is 4-propa-1,2-dienylthiane.

Molecular Properties

Compound Name4-propa-1,2-dienylthiane
PubChem CID145483614
Molecular FormulaC8H12S
Molecular Weight140.25 g/mol
Exact Mass140.07
IUPAC Name4-propa-1,2-dienylthiane
SMILESC=C=CC1CCSCC1
InChIInChI=1S/C8H12S/c1-2-3-8-4-6-9-7-5-8/h3,8H,1,4-7H2
InChIKeyYHJGMIGMDCGKNX-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.25
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-Prop-2-enylthiane
CID 130067813
3-(Thian-4-yl)propa-1,2-dien-1-one
CID 21691511
4-Ethenylthiane
CID 57312674
4-Prop-1-en-2-ylthiane
CID 88988805
3-Ethenylthiane
CID 130518571
4-Ethenylthiane;propane
CID 143374226
3,5-Bis(ethenyl)thiane
CID 151939220
2,3,4,4a,5,6-Hexahydrothiochromene
CID 163965867
4-Ethenylthiane;hydrate
CID 174973820
4,4-Bis(ethenyl)thiane;platinum
CID 175900341
2,2-Diethyl-3-methylidene-1,4-dithiane
CID 15304233
4-Prop-2-enylthiane
CID 130067807

Frequently Asked Questions

What is the IUPAC name of 4-propa-1,2-dienylthiane?
The IUPAC name of 4-propa-1,2-dienylthiane (CID 145483614) is 4-propa-1,2-dienylthiane.
What is the SMILES notation for 4-propa-1,2-dienylthiane?
The canonical SMILES for 4-propa-1,2-dienylthiane is C=C=CC1CCSCC1.
What is the InChIKey of 4-propa-1,2-dienylthiane?
The InChIKey is YHJGMIGMDCGKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12S/c1-2-3-8-4-6-9-7-5-8/h3,8H,1,4-7H2.
What are the key properties of 4-propa-1,2-dienylthiane?
4-propa-1,2-dienylthiane has a molecular weight of 140.25 g/mol, XLogP of 2.47, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propa-1,2-dienylthiane is sourced from PubChem (CID 145483614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).