1-chloro-3-methylsulfanylprop-1-ene

C4H7ClS — CID 75790705

IUPAC1-chloro-3-methylsulfanylprop-1-ene
SMILESCSCC=CCl
InChIInChI=1S/C4H7ClS/c1-6-4-2-3-5/h2-3H,4H2,1H3
InChIKeyHCIXJOBDKZGWCV-UHFFFAOYSA-N
MW122.62 g/mol
LogP2.10
Rot. Bonds2

About 1-chloro-3-methylsulfanylprop-1-ene

1-chloro-3-methylsulfanylprop-1-ene (PubChem CID 75790705) has the molecular formula C4H7ClS and a molecular weight of 122.62 g/mol. Its IUPAC name is 1-chloro-3-methylsulfanylprop-1-ene.

Molecular Properties

Compound Name1-chloro-3-methylsulfanylprop-1-ene
PubChem CID75790705
Molecular FormulaC4H7ClS
Molecular Weight122.62 g/mol
Exact Mass122.00
IUPAC Name1-chloro-3-methylsulfanylprop-1-ene
SMILESCSCC=CCl
InChIInChI=1S/C4H7ClS/c1-6-4-2-3-5/h2-3H,4H2,1H3
InChIKeyHCIXJOBDKZGWCV-UHFFFAOYSA-N
XLogP2.10
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.62
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

Thiocyanic acid, 3-chloroallyl ester
CID 6391021
Sulfide, allyl 2-chloroethyl
CID 87944
3-((Chloromethyl)sulfanyl)prop-1-ene
CID 13046268
(E)-1-chloro-2-methylsulfanylprop-1-ene
CID 134932393
Chloropropenyl sulfide
CID 126722717
1-Chloro-3-[(3-chloroprop-2-EN-1-YL)sulfanyl]prop-1-ene
CID 71356509
2-Chloro-3-(1-chloroprop-1-en-3-ylsulfanyl)-prop-1-ene
CID 129747376
(E)-1-chloro-5-methylsulfanylpent-1-en-3-yne
CID 131241325
2-(2-Chloroethenylsulfanyl)propane
CID 133064309
(Z)-1,2-dichloro-1-prop-2-enylsulfanylprop-1-ene
CID 134988514
3-Chloro-2-methylthio-propene
CID 578838
(E)-3-chloro-1-prop-2-enylsulfanylprop-1-ene
CID 13509608

Frequently Asked Questions

What is the IUPAC name of 1-chloro-3-methylsulfanylprop-1-ene?
The IUPAC name of 1-chloro-3-methylsulfanylprop-1-ene (CID 75790705) is 1-chloro-3-methylsulfanylprop-1-ene.
What is the SMILES notation for 1-chloro-3-methylsulfanylprop-1-ene?
The canonical SMILES for 1-chloro-3-methylsulfanylprop-1-ene is CSCC=CCl.
What is the InChIKey of 1-chloro-3-methylsulfanylprop-1-ene?
The InChIKey is HCIXJOBDKZGWCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClS/c1-6-4-2-3-5/h2-3H,4H2,1H3.
What are the key properties of 1-chloro-3-methylsulfanylprop-1-ene?
1-chloro-3-methylsulfanylprop-1-ene has a molecular weight of 122.62 g/mol, XLogP of 2.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-3-methylsulfanylprop-1-ene is sourced from PubChem (CID 75790705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).