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Details

Stereochemistry ACHIRAL
Molecular Formula C15H32N2S.ClH
Molecular Weight 308.954
Optical Activity NONE
Defined Stereocenters 0 / 0
E/Z Centers 1
Charge 0

SHOW SMILES / InChI
Structure of 2-Dodecyl-1,3-dimethyl-2-thiopseudourea hydrochloride

SMILES

Cl.CCCCCCCCCCCCS\C(NC)=N\C

InChI

InChIKey=KZRZJGGNEMBXSG-UHFFFAOYSA-N
InChI=1S/C15H32N2S.ClH/c1-4-5-6-7-8-9-10-11-12-13-14-18-15(16-2)17-3;/h4-14H2,1-3H3,(H,16,17);1H

HIDE SMILES / InChI

Molecular Formula ClH
Molecular Weight 36.461
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 0
Optical Activity NONE

Molecular Formula C15H32N2S
Molecular Weight 272.493
Charge 0
Count
Stereochemistry ACHIRAL
Additional Stereochemistry No
Defined Stereocenters 0 / 0
E/Z Centers 1
Optical Activity NONE

Approval Year

Substance Class Chemical
Created
by admin
on Tue Apr 01 20:03:51 GMT 2025
Edited
by admin
on Tue Apr 01 20:03:51 GMT 2025
Record UNII
LC3XF434H4
Record Status Validated (UNII)
Record Version
  • Download
Name Type Language
NSC-4413
Preferred Name English
2-Dodecyl-1,3-dimethyl-2-thiopseudourea hydrochloride
Systematic Name English
Pseudourea, 2-dodecyl-1,3-dimethyl-2-thio-, hydrochloride
Systematic Name English
Carbamimidothioic acid, N,N'-dimethyl-, dodecyl ester, monohydrochloride
Systematic Name English
Code System Code Type Description
FDA UNII
LC3XF434H4
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
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CAS
5412-04-4
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
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NSC
4413
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
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PUBCHEM
79430
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
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EPA CompTox
DTXSID20202463
Created by admin on Tue Apr 01 20:03:51 GMT 2025 , Edited by admin on Tue Apr 01 20:03:51 GMT 2025
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