(4-hydrazinyl-4-hydroxybutyl)thiourea

C5H14N4OS — CID 141122054

IUPAC(4-hydrazinyl-4-hydroxybutyl)thiourea
SMILESNNC(O)CCCNC(N)=S
InChIInChI=1S/C5H14N4OS/c6-5(11)8-3-1-2-4(10)9-7/h4,9-10H,1-3,7H2,(H3,6,8,11)
InChIKeyCNCBSJQQXQDVBM-UHFFFAOYSA-N
MW178.26 g/mol
LogP-1.62
Rot. Bonds5

About (4-hydrazinyl-4-hydroxybutyl)thiourea

(4-hydrazinyl-4-hydroxybutyl)thiourea (PubChem CID 141122054) has the molecular formula C5H14N4OS and a molecular weight of 178.26 g/mol. Its IUPAC name is (4-hydrazinyl-4-hydroxybutyl)thiourea.

Molecular Properties

Compound Name(4-hydrazinyl-4-hydroxybutyl)thiourea
PubChem CID141122054
Molecular FormulaC5H14N4OS
Molecular Weight178.26 g/mol
Exact Mass178.09
IUPAC Name(4-hydrazinyl-4-hydroxybutyl)thiourea
SMILESNNC(O)CCCNC(N)=S
InChIInChI=1S/C5H14N4OS/c6-5(11)8-3-1-2-4(10)9-7/h4,9-10H,1-3,7H2,(H3,6,8,11)
InChIKeyCNCBSJQQXQDVBM-UHFFFAOYSA-N
XLogP-1.62
TPSA96.33 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.26
LogP ≤ 5-1.62
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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

3-[3-(carbamothioylamino)propoxy]propylthiourea
CID 88722493
12-hydroxydodecylthiourea
CID 121377187
pentylthiourea;hydrochloride
CID 87769181
5-(carbamothioylamino)pentylcarbamic acid
CID 23442541
methyl (2S)-2-amino-6-(carbamothioylamino)hexanoate
CID 10420982
2-chloroethylthiourea
CID 54089131
3-(methanesulfonamido)propylthiourea
CID 106335651
2-[2-(carbamothioylamino)ethoxy]ethylthiourea
CID 56622418
3,3-diethoxypropylthiourea
CID 59818330
4-(carbamothioylamino)-2-methylbutanoic acid
CID 88920180
4-methylsulfinylbutylthiourea
CID 72679285
3-amino-2-methyl-N-(4-methylpentyl)-3-sulfanylidenepropanamide
CID 63004736

Frequently Asked Questions

What is the IUPAC name of (4-hydrazinyl-4-hydroxybutyl)thiourea?
The IUPAC name of (4-hydrazinyl-4-hydroxybutyl)thiourea (CID 141122054) is (4-hydrazinyl-4-hydroxybutyl)thiourea.
What is the SMILES notation for (4-hydrazinyl-4-hydroxybutyl)thiourea?
The canonical SMILES for (4-hydrazinyl-4-hydroxybutyl)thiourea is NNC(O)CCCNC(N)=S.
What is the InChIKey of (4-hydrazinyl-4-hydroxybutyl)thiourea?
The InChIKey is CNCBSJQQXQDVBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H14N4OS/c6-5(11)8-3-1-2-4(10)9-7/h4,9-10H,1-3,7H2,(H3,6,8,11).
What are the key properties of (4-hydrazinyl-4-hydroxybutyl)thiourea?
(4-hydrazinyl-4-hydroxybutyl)thiourea has a molecular weight of 178.26 g/mol, XLogP of -1.62, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-hydrazinyl-4-hydroxybutyl)thiourea is sourced from PubChem (CID 141122054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).