morpholin-4-ylmethylthiourea

C6H13N3OS — CID 3571469

IUPACmorpholin-4-ylmethylthiourea
SMILESNC(=S)NCN1CCOCC1
InChIInChI=1S/C6H13N3OS/c7-6(11)8-5-9-1-3-10-4-2-9/h1-5H2,(H3,7,8,11)
InChIKeyWNVUHGQWKOFCPE-UHFFFAOYSA-N
MW175.26 g/mol
LogP-0.89
Rot. Bonds2

About morpholin-4-ylmethylthiourea

morpholin-4-ylmethylthiourea (PubChem CID 3571469) has the molecular formula C6H13N3OS and a molecular weight of 175.26 g/mol. Its IUPAC name is morpholin-4-ylmethylthiourea.

Molecular Properties

Compound Namemorpholin-4-ylmethylthiourea
PubChem CID3571469
Molecular FormulaC6H13N3OS
Molecular Weight175.26 g/mol
Exact Mass175.08
IUPAC Namemorpholin-4-ylmethylthiourea
SMILESNC(=S)NCN1CCOCC1
InChIInChI=1S/C6H13N3OS/c7-6(11)8-5-9-1-3-10-4-2-9/h1-5H2,(H3,7,8,11)
InChIKeyWNVUHGQWKOFCPE-UHFFFAOYSA-N
XLogP-0.89
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.26
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-1-[2-(morpholin-4-yl)ethyl]thiourea
CID 800073
4-Morpholinecarbothioamide
CID 2393544
1-Ethyl-3-[2-(morpholin-4-yl)ethyl]thiourea
CID 886104
1-(2-Morpholinoethyl)-2-thiourea
CID 2760134
S-Anisylformamidino-4-(N-methylisothioamide)morpholine
CID 686504
N,N-dimethylmorpholine-4-carbothioamide
CID 12673943
1,3-Bis(morpholin-4-ylmethyl)thiourea
CID 3454724
Pseudourea, 2-(2-morpholinoethyl)-2-thio-, dihydrochloride
CID 3035131
N-[3-(4-Morpholinyl)propyl]thiourea
CID 2760135
N-(2-methoxyethyl)-4-morpholinecarbothioamide
CID 2168459
4-Morpholinecarbothioamide, N-butyl-
CID 3293994
1,1-Dimethyl-3-(3-morpholin-4-ylpropyl)thiourea
CID 2731720

Frequently Asked Questions

What is the IUPAC name of morpholin-4-ylmethylthiourea?
The IUPAC name of morpholin-4-ylmethylthiourea (CID 3571469) is morpholin-4-ylmethylthiourea.
What is the SMILES notation for morpholin-4-ylmethylthiourea?
The canonical SMILES for morpholin-4-ylmethylthiourea is NC(=S)NCN1CCOCC1.
What is the InChIKey of morpholin-4-ylmethylthiourea?
The InChIKey is WNVUHGQWKOFCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13N3OS/c7-6(11)8-5-9-1-3-10-4-2-9/h1-5H2,(H3,7,8,11).
What are the key properties of morpholin-4-ylmethylthiourea?
morpholin-4-ylmethylthiourea has a molecular weight of 175.26 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-ylmethylthiourea is sourced from PubChem (CID 3571469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).