(E)-2-chloroprop-1-ene-1-thiol

C3H5ClS — CID 143576946

IUPAC(E)-2-chloroprop-1-ene-1-thiol
SMILESC/C(Cl)=C\S
InChIInChI=1S/C3H5ClS/c1-3(4)2-5/h2,5H,1H3/b3-2+
InChIKeyRDTUUCYUAIIIIH-NSCUHMNNSA-N
MW108.59 g/mol
LogP2.02
Rot. Bonds

About (E)-2-chloroprop-1-ene-1-thiol

(E)-2-chloroprop-1-ene-1-thiol (PubChem CID 143576946) has the molecular formula C3H5ClS and a molecular weight of 108.59 g/mol. Its IUPAC name is (E)-2-chloroprop-1-ene-1-thiol.

Molecular Properties

Compound Name(E)-2-chloroprop-1-ene-1-thiol
PubChem CID143576946
Molecular FormulaC3H5ClS
Molecular Weight108.59 g/mol
Exact Mass107.98
IUPAC Name(E)-2-chloroprop-1-ene-1-thiol
SMILESC/C(Cl)=C\S
InChIInChI=1S/C3H5ClS/c1-3(4)2-5/h2,5H,1H3/b3-2+
InChIKeyRDTUUCYUAIIIIH-NSCUHMNNSA-N
XLogP2.02
TPSA0.00 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.59
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-chloroprop-1-en-1-amine
CID 151379752
2-chloro-1-(2-chloroprop-1-enoxy)prop-1-ene
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CID 102017539
(E)-3-chloro-1-fluorobut-2-ene
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(Z)-2-chloro-1-fluoroprop-1-en-1-ol
CID 173270736
(Z)-3,4-bis(sulfanyl)but-3-en-2-one
CID 6914072
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CID 136818460
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 142804788
(E)-4-chloropent-3-en-1-yne
CID 143498837
(E)-3-chloro-1-[(E)-3-chlorobut-2-enoxy]but-2-ene
CID 12583671
ethane;(1Z)-2-methylbuta-1,3-diene-1-thiol
CID 143502225
(1E)-1-chloro-1-fluoro-4-methylpenta-1,3-diene
CID 87088644

Frequently Asked Questions

What is the IUPAC name of (E)-2-chloroprop-1-ene-1-thiol?
The IUPAC name of (E)-2-chloroprop-1-ene-1-thiol (CID 143576946) is (E)-2-chloroprop-1-ene-1-thiol.
What is the SMILES notation for (E)-2-chloroprop-1-ene-1-thiol?
The canonical SMILES for (E)-2-chloroprop-1-ene-1-thiol is C/C(Cl)=C\S.
What is the InChIKey of (E)-2-chloroprop-1-ene-1-thiol?
The InChIKey is RDTUUCYUAIIIIH-NSCUHMNNSA-N. The full InChI is InChI=1S/C3H5ClS/c1-3(4)2-5/h2,5H,1H3/b3-2+.
What are the key properties of (E)-2-chloroprop-1-ene-1-thiol?
(E)-2-chloroprop-1-ene-1-thiol has a molecular weight of 108.59 g/mol, XLogP of 2.02, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-chloroprop-1-ene-1-thiol is sourced from PubChem (CID 143576946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).