3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene

C10H16S — CID 134885469

IUPAC3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene
SMILESC=C=C(CCCC)S/C=C/C
InChIInChI=1S/C10H16S/c1-4-7-8-10(6-3)11-9-5-2/h5,9H,3-4,7-8H2,1-2H3/b9-5+
InChIKeyAQKJHUWHJXSYEY-WEVVVXLNSA-N
MW168.30 g/mol
LogP4.11
Rot. Bonds5

About 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene

3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene (PubChem CID 134885469) has the molecular formula C10H16S and a molecular weight of 168.30 g/mol. Its IUPAC name is 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene.

Molecular Properties

Compound Name3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene
PubChem CID134885469
Molecular FormulaC10H16S
Molecular Weight168.30 g/mol
Exact Mass168.10
IUPAC Name3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene
SMILESC=C=C(CCCC)S/C=C/C
InChIInChI=1S/C10H16S/c1-4-7-8-10(6-3)11-9-5-2/h5,9H,3-4,7-8H2,1-2H3/b9-5+
InChIKeyAQKJHUWHJXSYEY-WEVVVXLNSA-N
XLogP4.11
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.30
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2,3-Dihydro-2-methylthiophene
CID 22054765
Sulfide, allyl pentyl
CID 525486
5-Methylsulfanyl-5-(1-methylsulfanylpent-4-enyldisulfanyl)pent-1-ene
CID 163192635
4-(Methylsulfanyl)but-1-ene
CID 548387
2-methyl-3,4-dihydro-2H-thiopyran
CID 12570888
2,3,4,5-Tetrahydrothiepine
CID 12613679
2-[(prop-2-enyldisulfanyl)methyl]-3,4-dihydro-2H-thiopyran
CID 14223531
Pentenyl sulfide
CID 57139871
InChI=1/C9H16SSe/c1-3-5-7-9(11)10-8-6-4-2/h3H,1,4-8H2,2H
CID 5325633
(E)-1-tert-butylsulfanylhex-1-ene
CID 13468728
2-But-3-enylsulfanyl-2-methylpropane
CID 12385580
6-Tert-butylsulfanylhex-1-ene
CID 12385582

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene?
The IUPAC name of 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene (CID 134885469) is 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene.
What is the SMILES notation for 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene?
The canonical SMILES for 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene is C=C=C(CCCC)S/C=C/C.
What is the InChIKey of 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene?
The InChIKey is AQKJHUWHJXSYEY-WEVVVXLNSA-N. The full InChI is InChI=1S/C10H16S/c1-4-7-8-10(6-3)11-9-5-2/h5,9H,3-4,7-8H2,1-2H3/b9-5+.
What are the key properties of 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene?
3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene has a molecular weight of 168.30 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-prop-1-enyl]sulfanylhepta-1,2-diene is sourced from PubChem (CID 134885469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).