[[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea

C2H8N3O2PS — CID 174597157

IUPAC[[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea
SMILESCP(O)(O)=NNC(N)=S
InChIInChI=1S/C2H8N3O2PS/c1-8(6,7)5-4-2(3)9/h6-7H,1H3,(H3,3,4,9)
InChIKeyCMRLCUHUNLMVDD-UHFFFAOYSA-N
MW169.15 g/mol
LogP-0.62
Rot. Bonds1

About [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea

[[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea (PubChem CID 174597157) has the molecular formula C2H8N3O2PS and a molecular weight of 169.15 g/mol. Its IUPAC name is [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea.

Molecular Properties

Compound Name[[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea
PubChem CID174597157
Molecular FormulaC2H8N3O2PS
Molecular Weight169.15 g/mol
Exact Mass169.01
IUPAC Name[[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea
SMILESCP(O)(O)=NNC(N)=S
InChIInChI=1S/C2H8N3O2PS/c1-8(6,7)5-4-2(3)9/h6-7H,1H3,(H3,3,4,9)
InChIKeyCMRLCUHUNLMVDD-UHFFFAOYSA-N
XLogP-0.62
TPSA90.87 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 5-0.62
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[[dihydroxy(methyl)-λ5-phosphanylidene]amino]urea
CID 175264763
(3-methylbutan-2-ylideneamino)thiourea
CID 4209785
[(E)-[(2E)-2-(carbamothioylhydrazinylidene)ethylidene]amino]thiourea;propane
CID 172974668
[(E)-3-oxobutan-2-ylideneamino]thiourea
CID 12861991
[(2,2-dimethylcyclopentylidene)amino]thiourea
CID 79863322
[(E)-1-[4-[(E)-N-(1-aminoethenylamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]thiourea
CID 166735098
CID 173119695
CID 173119695
(3-nitrosobutan-2-ylideneamino)thiourea
CID 54079980
[(3,5-dimethylcyclohexylidene)amino]thiourea
CID 65212363
[(Z)-2,2-dichloroethylideneamino]thiourea
CID 6044632
(cyclopentylideneamino)thiourea
CID 690102
[[amino-[bis(carbamothioylamino)amino]methylidene]amino]thiourea
CID 163431315

Frequently Asked Questions

What is the IUPAC name of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea?
The IUPAC name of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea (CID 174597157) is [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea.
What is the SMILES notation for [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea?
The canonical SMILES for [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea is CP(O)(O)=NNC(N)=S.
What is the InChIKey of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea?
The InChIKey is CMRLCUHUNLMVDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N3O2PS/c1-8(6,7)5-4-2(3)9/h6-7H,1H3,(H3,3,4,9).
What are the key properties of [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea?
[[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea has a molecular weight of 169.15 g/mol, XLogP of -0.62, 1 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [[dihydroxy(methyl)-λ5-phosphanylidene]amino]thiourea is sourced from PubChem (CID 174597157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).