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CAS 104617-49-4 2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole molecular structure lightbox
CAS RN: 104617-49-4

2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole

Product Availability

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1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250608 5g / 25g / 100g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: SSC-006380
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 5g, 1g, 10g, 25g, 100g, 1000g
  • Available purity: ≥95%
  • Inventory rows with stock: 10
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 104617-49-4
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g -- 5 In Stock Shanghai Inquiry
5g ≥95% 5 In Stock Shanghai Inquiry
1g -- 2 In Stock Shanghai Inquiry
1g ≥95% 2 In Stock Beijing Inquiry
10g -- 2 In Stock Beijing Inquiry
10g ≥95% 2 In Stock Shanghai Inquiry
25g -- 2 In Stock Hong Kong Inquiry
25g ≥95% 2 In Stock Shanghai Inquiry
100g -- 2 In Stock Shenzhen Inquiry
100g ≥95% 2 In Stock Hong Kong Inquiry
1000g -- 0 Out of Stock Shanghai Inquiry

104617-49-4 / 4,5,6,7-tetrahydro-1,3-benzothiazole-2,6-diamine

2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole | 4,5,6,7-tetrahydro-2,6-benzothiazolediamine | RefChem:445286

Standard CAS: 104617-49-4 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
104617-49-4
Multi CAS
Yes
Molecular Formula
C7H11N3S
Molecular Weight
169.250000
Exact Mass
169.067369
SMILES
C1CC2=C(CC1N)SC(=N2)N
InChI
InChI=1S/C7H11N3S/c8-4-1-2-5-6(3-4)11-7(9)10-5/h4H,1-3,8H2,(H2,9,10)
InChIKey
DRRYZHHKWSHHFT-UHFFFAOYSA-N
Synonyms
2,6-Diamino-4,5,6,7-tetrahydrobenzothiazole 4,5,6,7-tetrahydro-2,6-benzothiazolediamine RefChem:445286 600-587-9 4,5,6,7-Tetrahydrobenzo[d]thiazole-2,6-diamine

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.57
H-bond acceptors
4
H-bond donors
2
Molar refractivity
46.53
TPSA
64.93

LogP / Solubility

WLOGP
0.54
MLOGP
0.47
XLogP3
0.5
Consensus LogP
0.5
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.34
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.21
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
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)
-3.37

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H315 (92.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (92.7%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation] H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

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