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CAS 1004-15-5 3-HYDRAZINOTETRAHYDRO-1H-1L6-THIOPHENE-1,1-DIONE HYDROCHLORIDE molecular structure lightbox
CAS RN: 1004-15-5

3-HYDRAZINOTETRAHYDRO-1H-1L6-THIOPHENE-1,1-DIONE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251007 100mg Out of stock 15 business days Inquiry
  • Product code: SSC-000961
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1004-15-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shenzhen Inquiry

1004-15-5 / (1,1-dioxothiolan-3-yl)hydrazine;hydrochloride

(1,1-dioxidotetrahydrothien-3-yl)hydrazine hydrochloride | (1,1-Dioxidotetrahydro-3-thienyl)hydrazine hydrochloride | MFCD00050640

Standard CAS: 1004-15-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1004-15-5
Multi CAS
No
Molecular Formula
C4H11ClN2O2S
Molecular Weight
186.660000
Exact Mass
186.022977
SMILES
C1CS(=O)(=O)CC1NN.Cl
InChI
InChI=1S/C4H10N2O2S.ClH/c5-6-4-1-2-9(7,8)3-4;/h4,6H,1-3,5H2;1H
InChIKey
JJAQVUUCQRGKIM-UHFFFAOYSA-N
Synonyms
(1,1-dioxidotetrahydrothien-3-yl)hydrazine hydrochloride (1,1-Dioxidotetrahydro-3-thienyl)hydrazine hydrochloride MFCD00050640 3-hydrazinyltetrahydrothiophene 1,1-dioxide hydrochloride (1,1-Dioxidotetrahydro-3-thienyl)hydrazinehydrochloride

Computed Properties

Structural Parameters

Heavy atom count
10
Fraction Csp3
1
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
2
Molar refractivity
41.63
TPSA
72.19

LogP / Solubility

WLOGP
-0.94
MLOGP
-0.83
XLogP3
-0.94
Consensus LogP
-0.9
Log S (ESOL)
-0.34
Class (ESOL)
Very soluble
Log S (Ali)
-0.41
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.21
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
Low
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.53

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2

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