1-[2-iodoethyl(methyl)amino]ethenethiol

C5H10INS — CID 118013399

IUPAC1-[2-iodoethyl(methyl)amino]ethenethiol
SMILESC=C(S)N(C)CCI
InChIInChI=1S/C5H10INS/c1-5(8)7(2)4-3-6/h8H,1,3-4H2,2H3
InChIKeyKFRKHAWERNXSCQ-UHFFFAOYSA-N
MW243.11 g/mol
LogP1.75
Rot. Bonds3

About 1-[2-iodoethyl(methyl)amino]ethenethiol

1-[2-iodoethyl(methyl)amino]ethenethiol (PubChem CID 118013399) has the molecular formula C5H10INS and a molecular weight of 243.11 g/mol. Its IUPAC name is 1-[2-iodoethyl(methyl)amino]ethenethiol.

Molecular Properties

Compound Name1-[2-iodoethyl(methyl)amino]ethenethiol
PubChem CID118013399
Molecular FormulaC5H10INS
Molecular Weight243.11 g/mol
Exact Mass242.96
IUPAC Name1-[2-iodoethyl(methyl)amino]ethenethiol
SMILESC=C(S)N(C)CCI
InChIInChI=1S/C5H10INS/c1-5(8)7(2)4-3-6/h8H,1,3-4H2,2H3
InChIKeyKFRKHAWERNXSCQ-UHFFFAOYSA-N
XLogP1.75
TPSA3.24 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.11
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-iodoethyl)-N-(iodomethyl)-2-methylprop-2-en-1-amine
CID 163682253
(2S)-1-[ethyl(2-iodoethyl)amino]propan-2-ol
CID 127002205
3-iodopropyl(methyl)carbamic acid
CID 21077788
N-(iodomethyl)-N,2-dimethylprop-2-enamide
CID 146497620
2-[2-(chloromethyl)prop-2-enyl-methylamino]ethanol
CID 103067672
2-[methyl-[2-(sulfanylmethyl)prop-2-enyl]amino]ethanol
CID 103073312
1-N,1-N'-dibutyl-1-N,1-N'-dimethylethene-1,1-diamine
CID 90395287
N'-methyl-N'-prop-1-en-2-ylethane-1,2-diamine
CID 130357566
2-(2-iodoethyl)-1,1,3,3-tetramethylguanidine
CID 90350369
N-(2-iodoethyl)-N,2,2-trimethylpropan-1-amine
CID 130693540
3-[iodo(methyl)amino]but-1-ene-2-thiol
CID 135244143
N-(2-iodoethyl)-N-propylpropan-1-amine
CID 88928815

Frequently Asked Questions

What is the IUPAC name of 1-[2-iodoethyl(methyl)amino]ethenethiol?
The IUPAC name of 1-[2-iodoethyl(methyl)amino]ethenethiol (CID 118013399) is 1-[2-iodoethyl(methyl)amino]ethenethiol.
What is the SMILES notation for 1-[2-iodoethyl(methyl)amino]ethenethiol?
The canonical SMILES for 1-[2-iodoethyl(methyl)amino]ethenethiol is C=C(S)N(C)CCI.
What is the InChIKey of 1-[2-iodoethyl(methyl)amino]ethenethiol?
The InChIKey is KFRKHAWERNXSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10INS/c1-5(8)7(2)4-3-6/h8H,1,3-4H2,2H3.
What are the key properties of 1-[2-iodoethyl(methyl)amino]ethenethiol?
1-[2-iodoethyl(methyl)amino]ethenethiol has a molecular weight of 243.11 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-iodoethyl(methyl)amino]ethenethiol is sourced from PubChem (CID 118013399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).