(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride

C7H8Br2ClNS — CID 171235170

IUPAC(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1cc(Br)c(Br)s1.Cl
InChIInChI=1S/C7H7Br2NS.ClH/c1-2-5(10)6-3-4(8)7(9)11-6;/h2-3,5H,1,10H2;1H/t5-;/m0./s1
InChIKeyXXHFNJGSAZERAQ-JEDNCBNOSA-N
MW333.48 g/mol
LogP3.88
Rot. Bonds2

About (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride

(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride (PubChem CID 171235170) has the molecular formula C7H8Br2ClNS and a molecular weight of 333.48 g/mol. Its IUPAC name is (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride.

Molecular Properties

Compound Name(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
PubChem CID171235170
Molecular FormulaC7H8Br2ClNS
Molecular Weight333.48 g/mol
Exact Mass330.84
IUPAC Name(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride
SMILESC=C[C@H](N)c1cc(Br)c(Br)s1.Cl
InChIInChI=1S/C7H7Br2NS.ClH/c1-2-5(10)6-3-4(8)7(9)11-6;/h2-3,5H,1,10H2;1H/t5-;/m0./s1
InChIKeyXXHFNJGSAZERAQ-JEDNCBNOSA-N
XLogP3.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S)-1-(5-bromo-4-methylthiophen-2-yl)prop-2-en-1-amine
CID 131039487
(1S)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine;hydrochloride
CID 171235193
(1R)-1-(4,5-dibromothiophen-2-yl)pent-4-en-1-amine
CID 171215559
2-amino-2-(4,5-dibromothiophen-2-yl)ethanol
CID 103846013
(1S)-1-(4,5-dibromothiophen-2-yl)propan-1-amine
CID 82758330
(4R)-4-amino-4-(4,5-dibromothiophen-2-yl)butan-1-ol;hydrochloride
CID 171215570
1-(4,5-dibromothiophen-2-yl)-3-methylbutane-1,2-diamine
CID 130870793
(S)-cyclohexyl-(4,5-dibromothiophen-2-yl)methanamine;hydrochloride
CID 171235188
(1S)-1-(4,5-dibromothiophen-2-yl)-3-methylbutan-1-amine
CID 131013810
1-(4,5-dibromothiophen-2-yl)-2,2,3,3-tetrafluoropropan-1-amine
CID 80532874
(2S)-2-chloro-2-(4,5-dibromothiophen-2-yl)acetaldehyde
CID 175222168
cyclobutyl-(4,5-dibromothiophen-2-yl)methanamine
CID 80533020

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
The IUPAC name of (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride (CID 171235170) is (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride.
What is the SMILES notation for (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
The canonical SMILES for (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride is C=C[C@H](N)c1cc(Br)c(Br)s1.Cl.
What is the InChIKey of (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
The InChIKey is XXHFNJGSAZERAQ-JEDNCBNOSA-N. The full InChI is InChI=1S/C7H7Br2NS.ClH/c1-2-5(10)6-3-4(8)7(9)11-6;/h2-3,5H,1,10H2;1H/t5-;/m0./s1.
What are the key properties of (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride?
(1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride has a molecular weight of 333.48 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(4,5-dibromothiophen-2-yl)prop-2-en-1-amine;hydrochloride is sourced from PubChem (CID 171235170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).