1H-indol-3-ylthiourea;hydroiodide

C9H10IN3S — CID 173290305

IUPAC1H-indol-3-ylthiourea;hydroiodide
SMILESI.NC(=S)Nc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N3S.HI/c10-9(13)12-8-5-11-7-4-2-1-3-6(7)8;/h1-5,11H,(H3,10,12,13);1H
InChIKeyAWFCHQYCTCFIGU-UHFFFAOYSA-N
MW319.17 g/mol
LogP2.44
Rot. Bonds1

About 1H-indol-3-ylthiourea;hydroiodide

1H-indol-3-ylthiourea;hydroiodide (PubChem CID 173290305) has the molecular formula C9H10IN3S and a molecular weight of 319.17 g/mol. Its IUPAC name is 1H-indol-3-ylthiourea;hydroiodide.

Molecular Properties

Compound Name1H-indol-3-ylthiourea;hydroiodide
PubChem CID173290305
Molecular FormulaC9H10IN3S
Molecular Weight319.17 g/mol
Exact Mass318.96
IUPAC Name1H-indol-3-ylthiourea;hydroiodide
SMILESI.NC(=S)Nc1c[nH]c2ccccc12
InChIInChI=1S/C9H9N3S.HI/c10-9(13)12-8-5-11-7-4-2-1-3-6(7)8;/h1-5,11H,(H3,10,12,13);1H
InChIKeyAWFCHQYCTCFIGU-UHFFFAOYSA-N
XLogP2.44
TPSA53.84 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.17
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1H-indol-3-ylcarbamic acid
CID 66672709
[2-(carbamothioylamino)phenyl]thiourea
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CID 115225408
[5-(carbamothioylamino)naphthalen-1-yl]thiourea
CID 102223311
1-ethyl-3-(1H-indol-3-yl)urea
CID 7615926
N-(1H-indol-3-yl)butanamide;dihydrochloride
CID 142898662
2-chloro-N-(1H-indol-3-yl)benzamide
CID 56763159
(E)-(carbamothioylamino)-(1H-indol-3-ylmethylidene)azanium
CID 135749038
(E)-3-(1H-indol-3-yl)prop-2-enethioamide
CID 119088775
1-(aminomethyl)-N-(1H-indol-3-yl)cyclopropane-1-carboxamide
CID 115182528
N-(1H-indol-3-yl)-2-methyl-2-(methylamino)propanamide
CID 115165574
N-(1H-indol-3-yl)pyrrolidine-1-carboxamide
CID 7615879

Frequently Asked Questions

What is the IUPAC name of 1H-indol-3-ylthiourea;hydroiodide?
The IUPAC name of 1H-indol-3-ylthiourea;hydroiodide (CID 173290305) is 1H-indol-3-ylthiourea;hydroiodide.
What is the SMILES notation for 1H-indol-3-ylthiourea;hydroiodide?
The canonical SMILES for 1H-indol-3-ylthiourea;hydroiodide is I.NC(=S)Nc1c[nH]c2ccccc12.
What is the InChIKey of 1H-indol-3-ylthiourea;hydroiodide?
The InChIKey is AWFCHQYCTCFIGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3S.HI/c10-9(13)12-8-5-11-7-4-2-1-3-6(7)8;/h1-5,11H,(H3,10,12,13);1H.
What are the key properties of 1H-indol-3-ylthiourea;hydroiodide?
1H-indol-3-ylthiourea;hydroiodide has a molecular weight of 319.17 g/mol, XLogP of 2.44, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-indol-3-ylthiourea;hydroiodide is sourced from PubChem (CID 173290305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).