1-cyclohexyl-3-(methylideneamino)thiourea

C8H15N3S — CID 118203790

IUPAC1-cyclohexyl-3-(methylideneamino)thiourea
SMILESC=NNC(=S)NC1CCCCC1
InChIInChI=1S/C8H15N3S/c1-9-11-8(12)10-7-5-3-2-4-6-7/h7H,1-6H2,(H2,10,11,12)
InChIKeyLVIDWWGWDOJTLW-UHFFFAOYSA-N
MW185.30 g/mol
LogP1.40
Rot. Bonds2

About 1-cyclohexyl-3-(methylideneamino)thiourea

1-cyclohexyl-3-(methylideneamino)thiourea (PubChem CID 118203790) has the molecular formula C8H15N3S and a molecular weight of 185.30 g/mol. Its IUPAC name is 1-cyclohexyl-3-(methylideneamino)thiourea.

Molecular Properties

Compound Name1-cyclohexyl-3-(methylideneamino)thiourea
PubChem CID118203790
Molecular FormulaC8H15N3S
Molecular Weight185.30 g/mol
Exact Mass185.10
IUPAC Name1-cyclohexyl-3-(methylideneamino)thiourea
SMILESC=NNC(=S)NC1CCCCC1
InChIInChI=1S/C8H15N3S/c1-9-11-8(12)10-7-5-3-2-4-6-7/h7H,1-6H2,(H2,10,11,12)
InChIKeyLVIDWWGWDOJTLW-UHFFFAOYSA-N
XLogP1.40
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.30
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'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

4-Cyclohexylthiosemicarbazide
CID 722813
n-Cyclohexyl-2,2-dimethylhydrazine-1-carbothioamide
CID 2307646
4-Cyclohexyl-1-(propan-2-ylidene)thiosemicarbazide
CID 139086947
(e)-N-cyclohexyl-2-pentylidenehydrazinecarbothioamide
CID 139953832
1-Cyclohexyl-3-(methylamino)thiourea
CID 12869138
1-Hexyl-3-(methylideneamino)thiourea
CID 142046473
1-Cyclohexyl-3-methylidenethiourea
CID 154479330
1-Cyclohexyl-3-isocyanatothiourea
CID 174382987
1-cyclohexyl-3-[(Z)-pentan-2-ylideneamino]thiourea
CID 8157595
1-Cyclohexyl-3-(pentan-3-ylideneamino)thiourea
CID 8157661
3-Cyclohexyl-1-methyl-1-(methylamino)thiourea
CID 13626591
2-[amino(imino)methyl]-N-cyclohexylhydrazinecarbothioamide
CID 45033848

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-(methylideneamino)thiourea?
The IUPAC name of 1-cyclohexyl-3-(methylideneamino)thiourea (CID 118203790) is 1-cyclohexyl-3-(methylideneamino)thiourea.
What is the SMILES notation for 1-cyclohexyl-3-(methylideneamino)thiourea?
The canonical SMILES for 1-cyclohexyl-3-(methylideneamino)thiourea is C=NNC(=S)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-3-(methylideneamino)thiourea?
The InChIKey is LVIDWWGWDOJTLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3S/c1-9-11-8(12)10-7-5-3-2-4-6-7/h7H,1-6H2,(H2,10,11,12).
What are the key properties of 1-cyclohexyl-3-(methylideneamino)thiourea?
1-cyclohexyl-3-(methylideneamino)thiourea has a molecular weight of 185.30 g/mol, XLogP of 1.40, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-(methylideneamino)thiourea is sourced from PubChem (CID 118203790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).