(1-chlorononan-4-ylideneamino)thiourea

C10H20ClN3S — CID 173180173

IUPAC(1-chlorononan-4-ylideneamino)thiourea
SMILESCCCCCC(CCCCl)=NNC(N)=S
InChIInChI=1S/C10H20ClN3S/c1-2-3-4-6-9(7-5-8-11)13-14-10(12)15/h2-8H2,1H3,(H3,12,14,15)
InChIKeyJMCIPHZHFIKPKC-UHFFFAOYSA-N
MW249.81 g/mol
LogP2.77
Rot. Bonds8

About (1-chlorononan-4-ylideneamino)thiourea

(1-chlorononan-4-ylideneamino)thiourea (PubChem CID 173180173) has the molecular formula C10H20ClN3S and a molecular weight of 249.81 g/mol. Its IUPAC name is (1-chlorononan-4-ylideneamino)thiourea.

Molecular Properties

Compound Name(1-chlorononan-4-ylideneamino)thiourea
PubChem CID173180173
Molecular FormulaC10H20ClN3S
Molecular Weight249.81 g/mol
Exact Mass249.11
IUPAC Name(1-chlorononan-4-ylideneamino)thiourea
SMILESCCCCCC(CCCCl)=NNC(N)=S
InChIInChI=1S/C10H20ClN3S/c1-2-3-4-6-9(7-5-8-11)13-14-10(12)15/h2-8H2,1H3,(H3,12,14,15)
InChIKeyJMCIPHZHFIKPKC-UHFFFAOYSA-N
XLogP2.77
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.81
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

[(E)-decan-4-ylideneamino]urea
CID 121216482
[[4-chloro-1-(4-methylphenyl)butylidene]amino]thiourea
CID 54127402
N-methyloctan-3-imine
CID 550941
[(Z)-[(2Z)-2-hydroxyiminopentan-3-ylidene]amino]thiourea
CID 135484991
[[(E)-1-(3,4-dichlorophenyl)non-1-en-3-ylidene]amino]thiourea
CID 131859994
1-chlorodecan-4-one
CID 65439314
N'-(carbamothioylamino)carbamimidothioate;tetrapropylazanium
CID 139062015
[(E)-[(1E)-1-(carbamothioylhydrazinylidene)pentan-2-ylidene]amino]thiourea
CID 23266274
[(Z)-1-(4-nonoxyphenyl)ethylideneamino]thiourea
CID 6242832
tert-butyl N-(heptadecan-9-ylideneamino)carbamate
CID 169107611
CID 176520430
CID 176520430
N-hydroxyhexanethioamide
CID 15073587

Frequently Asked Questions

What is the IUPAC name of (1-chlorononan-4-ylideneamino)thiourea?
The IUPAC name of (1-chlorononan-4-ylideneamino)thiourea (CID 173180173) is (1-chlorononan-4-ylideneamino)thiourea.
What is the SMILES notation for (1-chlorononan-4-ylideneamino)thiourea?
The canonical SMILES for (1-chlorononan-4-ylideneamino)thiourea is CCCCCC(CCCCl)=NNC(N)=S.
What is the InChIKey of (1-chlorononan-4-ylideneamino)thiourea?
The InChIKey is JMCIPHZHFIKPKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20ClN3S/c1-2-3-4-6-9(7-5-8-11)13-14-10(12)15/h2-8H2,1H3,(H3,12,14,15).
What are the key properties of (1-chlorononan-4-ylideneamino)thiourea?
(1-chlorononan-4-ylideneamino)thiourea has a molecular weight of 249.81 g/mol, XLogP of 2.77, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chlorononan-4-ylideneamino)thiourea is sourced from PubChem (CID 173180173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).